data_2kjy_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 2kjy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.243 0.544 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -52.84 -26.28 14.11 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.277 -0.889 . . . . 0.0 110.39 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.65 -52.77 10.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.368 -0.833 . . . . 0.0 110.352 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.27 -25.84 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.324 -0.86 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -68.64 -50.79 48.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.353 -0.842 . . . . 0.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.28 -44.09 84.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.325 -0.859 . . . . 0.0 110.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -33.59 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.142 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 7.8 ttt180 -75.07 -29.62 60.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.36 -0.837 . . . . 0.0 110.372 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -32.49 57.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.457 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.81 67.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.413 -0.804 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.12 -28.07 0.16 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.479 -0.763 . . . . 0.0 110.963 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -143.57 38.0 1.36 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.323 -0.86 . . . . 0.0 110.236 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.72 -48.46 90.78 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.909 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.5 Cg_endo -91.93 93.82 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.558 1.294 . . . . 0.0 109.377 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.98 -9.18 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 110.866 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.52 -29.92 3.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.682 -0.636 . . . . 0.0 110.582 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 11.4 t70 -76.6 -32.63 58.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 109.882 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.36 -30.98 70.05 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.356 0.598 . . . . 0.0 109.715 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.36 -46.65 26.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.525 -0.734 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 m -68.9 -39.19 79.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.15 -41.29 97.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.5 p -71.41 -34.7 70.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.471 -0.768 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.91 -46.79 56.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.15 -35.83 79.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.377 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -43.5 72.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 110.249 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.27 73.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.35 -0.844 . . . . 0.0 110.319 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -73.77 -40.3 63.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.343 -0.848 . . . . 0.0 110.241 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -75.12 -36.79 61.61 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.378 -0.826 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -47.95 74.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.0 110.296 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.99 -33.2 63.74 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.428 -0.795 . . . . 0.0 110.259 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.69 -52.18 40.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.348 -0.845 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.58 -34.89 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.24 -35.34 77.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.371 -0.831 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.5 p -73.14 -37.53 66.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.37 -0.831 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -66.4 -55.36 16.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.232 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -29.99 71.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.33 -0.856 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 110.31 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.225 0.535 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -42.61 99.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.324 -0.86 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.07 -44.9 71.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.443 -0.786 . . . . 0.0 110.163 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.84 -40.34 95.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.323 -0.861 . . . . 0.0 110.06 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.91 78.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.81 . . . . 0.0 110.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.44 -37.68 63.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.183 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -70.33 -42.59 71.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.322 -0.861 . . . . 0.0 110.154 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.384 -0.822 . . . . 0.0 110.063 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -52.9 -26.32 14.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.465 -0.772 . . . . 0.0 110.337 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.66 -52.95 15.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.285 -0.884 . . . . 0.0 110.197 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.0 -25.39 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.096 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -46.51 64.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.064 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -62.64 -47.99 81.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.422 -0.799 . . . . 0.0 110.08 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -57.52 -39.56 76.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.87 -33.94 62.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.402 -0.811 . . . . 0.0 109.982 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.25 -31.95 70.69 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.488 -0.757 . . . . 0.0 110.168 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -29.3 14.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.414 -0.804 . . . . 0.0 110.622 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.5 -29.47 0.16 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 111.171 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.9 tp -115.53 28.38 8.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.627 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.603 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 88.6 m -57.11 -41.31 90.54 Favored Pre-proline 0 N--CA 1.487 1.411 0 O-C-N 120.957 -1.09 . . . . 0.0 109.885 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.5 Cg_endo -89.32 89.41 0.39 Allowed 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.426 1.224 . . . . 0.0 109.213 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.53 -6.75 8.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.879 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 6.2 ptt180 -47.39 -28.35 2.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.735 -0.603 . . . . 0.0 110.666 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 8.5 t70 -76.26 -29.63 57.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.353 -0.842 . . . . 0.0 109.841 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.97 -31.38 59.0 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.405 0.622 . . . . 0.0 109.777 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 -46.2 55.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 110.068 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -66.26 -38.52 88.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.789 . . . . 0.0 110.028 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.72 -43.02 63.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.31 -0.868 . . . . 0.0 110.047 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -65.84 -37.02 85.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.457 -0.777 . . . . 0.0 109.995 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.82 -42.91 94.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -71.2 -35.44 71.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.823 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.93 76.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.404 -0.81 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.4 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.413 -0.804 . . . . 0.0 110.157 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -38.22 87.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -38.13 79.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.393 -0.817 . . . . 0.0 110.101 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -69.21 -35.16 75.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.398 -0.814 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.97 -40.18 83.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.406 -0.809 . . . . 0.0 110.141 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.22 72.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.323 -0.861 . . . . 0.0 110.139 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -66.68 -34.82 78.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.322 -0.861 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -58.75 -39.57 81.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.189 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.8 p -72.94 -39.56 66.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.335 -0.853 . . . . 0.0 110.121 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -72.34 -40.41 67.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.373 -0.829 . . . . 0.0 110.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.86 -39.17 93.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.449 -0.782 . . . . 0.0 110.164 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.344 -0.848 . . . . 0.0 109.941 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.185 0.516 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.24 -30.92 52.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.353 -0.842 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.48 -35.09 79.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.175 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.97 -37.23 61.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.92 97.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.392 -0.818 . . . . 0.0 110.149 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.46 -30.92 62.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -71.37 -35.1 70.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.391 -0.818 . . . . 0.0 110.185 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.375 -0.828 . . . . 0.0 110.23 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.19 0.519 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -52.95 -26.36 14.85 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.789 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -66.37 -51.15 60.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.73 -35.66 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -0.866 . . . . 0.0 110.055 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -44.81 70.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.44 -44.7 92.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.404 -0.81 . . . . 0.0 110.154 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -65.54 -30.31 71.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.454 -0.779 . . . . 0.0 110.135 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.35 -33.57 74.53 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.224 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -78.64 -32.45 47.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -60.49 -29.27 68.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.4 -0.813 . . . . 0.0 110.672 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.3 p90 -38.73 -30.75 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.545 -0.722 . . . . 0.0 111.168 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 1.6 tt -141.33 42.69 1.77 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.262 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.1 -46.99 99.7 Favored Pre-proline 0 N--CA 1.491 1.589 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.985 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -90.71 91.81 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.577 1.304 . . . . 0.0 109.584 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.41 ' CG2' ' CD2' ' A' ' 16' ' ' LEU . 62.7 t -76.03 -6.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.584 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.25 -28.15 1.81 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.713 -0.617 . . . . 0.0 110.756 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 13.3 t70 -76.17 -31.28 58.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.306 -0.871 . . . . 0.0 109.806 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -32.9 61.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.35 0.595 . . . . 0.0 109.878 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -76.81 -37.55 55.55 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.463 -0.773 . . . . 0.0 109.973 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -64.98 -45.33 86.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.039 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.56 -39.67 91.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -73.04 -31.61 64.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.12 -51.04 68.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -63.2 -44.83 94.25 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.301 -0.875 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.32 -31.93 71.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.421 -0.799 . . . . 0.0 110.214 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.51 74.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -32.67 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.414 -0.803 . . . . 0.0 110.135 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -71.41 -46.16 60.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.87 -40.74 98.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.282 -0.886 . . . . 0.0 110.045 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.98 -42.95 99.71 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.116 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.69 76.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -65.27 -42.67 92.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -60.26 -45.69 92.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.362 -0.836 . . . . 0.0 109.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 p -58.61 -39.64 81.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 109.914 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -66.53 -33.45 75.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -61.34 -46.8 88.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.397 -0.814 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.837 . . . . 0.0 109.849 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.61 -41.53 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.851 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -69.65 -41.74 75.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.304 -0.872 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -43.28 99.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.805 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.64 93.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.08 -30.91 62.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.184 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.68 -39.12 67.32 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.395 -0.816 . . . . 0.0 110.335 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.113 0.482 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -54.17 -25.92 25.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.431 -0.793 . . . . 0.0 110.059 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.94 -52.95 63.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.338 -0.852 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 9' ' ' ARG . 7.3 p -71.02 -25.06 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.114 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' N ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -68.86 -51.0 45.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 0.0 110.073 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.49 -42.72 99.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.345 -0.847 . . . . 0.0 110.077 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -30.15 71.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.083 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.59 -30.65 64.56 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -0.829 . . . . 0.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -76.18 -32.0 58.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.379 -0.826 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -30.15 45.44 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.318 -0.864 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 2.4 p90 -41.68 -30.21 0.22 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.504 -0.748 . . . . 0.0 110.857 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 11.4 tp -150.4 30.09 0.69 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.246 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.5 m -57.44 -42.69 97.17 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.045 -1.034 . . . . 0.0 110.059 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.7 Cg_endo -93.08 88.49 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.365 1.192 . . . . 0.0 109.8 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.69 -7.05 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -47.75 -28.68 2.62 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.809 -0.557 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -76.28 -29.76 57.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 109.918 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.21 -30.26 57.91 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.338 0.589 . . . . 0.0 109.851 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.38 -41.67 55.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.401 -0.812 . . . . 0.0 110.155 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -45.06 76.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.09 -36.03 74.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -74.53 -37.65 62.98 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.06 -38.88 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.347 -0.846 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -70.25 -40.97 74.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.352 -0.843 . . . . 0.0 110.142 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -61.79 -40.76 96.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.59 -50.76 33.81 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -0.902 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.64 85.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 110.216 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -67.36 -33.58 75.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.342 -0.849 . . . . 0.0 110.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -70.09 -37.54 75.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -67.08 -46.01 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.455 -0.778 . . . . 0.0 110.104 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.41 67.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.358 -0.839 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -61.42 -46.12 91.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -59.18 -37.22 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.295 -0.878 . . . . 0.0 110.014 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -61.85 -41.73 98.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.826 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.18 -48.36 81.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.412 -0.805 . . . . 0.0 109.828 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -29.84 63.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.321 -0.862 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -32.97 68.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.324 -0.86 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -45.7 86.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.102 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -70.9 -41.45 71.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.812 . . . . 0.0 110.103 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.32 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.95 -41.83 67.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -72.88 -38.34 67.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.841 . . . . 0.0 110.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.829 . . . . 0.0 110.205 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.168 0.509 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.74 -26.3 13.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.347 -0.846 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -68.74 -49.59 57.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.83 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.78 -27.97 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.327 -0.858 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -42.57 58.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.817 . . . . 0.0 110.228 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.56 -47.83 83.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.363 -0.836 . . . . 0.0 110.222 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -61.98 -41.36 97.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -68.9 -29.68 68.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -77.91 -31.96 51.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.493 -0.754 . . . . 0.0 110.352 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -52.65 -29.92 28.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.379 -0.826 . . . . 0.0 110.791 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.86 -30.49 0.26 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.346 -0.846 . . . . 0.0 110.389 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 26.6 tp -139.95 41.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.456 -0.778 . . . . 0.0 110.061 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -52.29 -47.36 92.86 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.402 -0.811 . . . . 0.0 109.866 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.6 Cg_endo -87.86 84.01 0.83 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.67 1.353 . . . . 0.0 109.234 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.36 -7.56 10.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.751 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.5 ptp180 -47.44 -29.08 2.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.63 -0.669 . . . . 0.0 110.589 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -76.44 -30.95 57.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.874 . . . . 0.0 109.728 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -32.45 67.1 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.346 0.593 . . . . 0.0 109.77 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.15 -43.53 57.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 m -62.83 -37.47 86.93 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 110.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.15 -44.96 82.66 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -69.6 -31.16 69.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.031 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -63.2 -49.39 74.41 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.827 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -42.2 85.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.171 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -66.63 -39.35 88.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 110.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.59 73.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.854 . . . . 0.0 110.072 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -63.31 -42.75 99.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.778 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -67.44 -37.13 82.54 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -0.859 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -71.65 -32.55 68.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.393 -0.817 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -42.06 81.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.812 . . . . 0.0 110.151 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.68 74.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.384 -0.822 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.68 80.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.378 -0.826 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -38.69 91.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.348 -0.845 . . . . 0.0 110.169 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -70.01 -41.67 74.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 110.138 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -71.0 -34.77 71.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.386 -0.821 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -38.64 89.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.367 -0.833 . . . . 0.0 110.3 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 110.377 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.202 0.525 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.26 -42.2 80.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.378 -0.826 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.54 -50.29 70.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 0.0 110.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -61.85 -30.52 70.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.171 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.73 -52.38 63.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.216 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.866 . . . . 0.0 110.175 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -72.67 -53.05 12.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.842 . . . . 0.0 110.181 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.189 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.198 0.523 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.2 p -52.83 -26.25 13.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.837 . . . . 0.0 110.311 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -67.13 -51.5 53.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.99 -32.0 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.306 -0.871 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -70.95 -44.84 65.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.383 -0.823 . . . . 0.0 110.161 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.23 -31.71 72.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -71.18 -34.06 70.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -74.53 -29.9 61.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 110.169 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -32.05 58.18 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -0.79 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -29.96 57.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.35 -0.844 . . . . 0.0 110.745 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -41.4 -30.52 0.19 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.439 -0.788 . . . . 0.0 110.662 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.3 tp -143.25 40.24 1.46 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.477 -0.764 . . . . 0.0 109.891 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.536 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -52.63 -46.78 95.71 Favored Pre-proline 0 N--CA 1.49 1.553 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.89 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.2 Cg_endo -90.55 89.62 0.3 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.671 1.353 . . . . 0.0 109.418 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.35 -7.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.0 110.722 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 16.0 ptt85 -47.43 -28.14 2.0 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.7 t70 -75.51 -30.75 59.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 109.862 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -33.64 62.72 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.391 0.615 . . . . 0.0 109.761 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.72 -40.66 40.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.521 -0.737 . . . . 0.0 109.944 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 m -63.06 -39.47 94.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.403 -0.811 . . . . 0.0 110.048 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -38.49 72.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -0.841 . . . . 0.0 110.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -39.22 69.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.369 -0.832 . . . . 0.0 110.081 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.78 -48.73 73.44 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.365 -0.834 . . . . 0.0 110.142 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -40.04 91.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.11 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.47 79.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.407 -0.808 . . . . 0.0 110.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -48.53 49.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 110.14 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.78 99.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.403 -0.811 . . . . 0.0 110.227 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 t -62.54 -46.4 88.54 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 110.191 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -43.09 99.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.387 -0.82 . . . . 0.0 110.175 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -69.02 -46.25 68.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.359 -0.838 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.52 78.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.07 -46.47 51.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -40.3 64.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.403 -0.81 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.4 t -61.46 -52.36 64.86 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 110.343 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -40.6 85.2 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.3 -0.875 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.76 -41.16 75.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.318 -0.864 . . . . 0.0 110.228 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.405 -0.809 . . . . 0.0 110.521 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.212 0.529 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.88 -36.82 80.19 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.57 -34.06 74.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.348 -0.845 . . . . 0.0 110.201 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -71.71 -40.54 69.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.39 -0.819 . . . . 0.0 110.119 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.36 88.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.347 -0.846 . . . . 0.0 110.143 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.06 -33.34 65.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 110.133 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -62.71 -31.8 72.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.367 -0.833 . . . . 0.0 110.047 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.279 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.246 0.546 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -52.82 -26.35 14.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.321 -0.862 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.57 -52.59 36.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.393 -0.817 . . . . 0.0 110.222 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 9' ' ' ARG . 33.7 m -73.39 -27.11 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.844 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -74.55 -42.29 59.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.45 -33.52 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -52.38 32.63 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.411 -0.806 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.65 70.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.272 -0.892 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.67 -32.13 67.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.281 -0.887 . . . . 0.0 110.463 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -30.15 63.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 110.686 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.2 p90 -44.02 -26.95 0.33 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.465 -0.772 . . . . 0.0 111.056 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 15.2 tp -132.99 33.0 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.504 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -56.69 -47.15 99.51 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 109.808 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.6 Cg_endo -92.54 89.06 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.434 1.229 . . . . 0.0 109.602 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.43 -7.92 10.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.409 -0.807 . . . . 0.0 110.709 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -47.58 -31.13 4.15 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.711 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -31.4 56.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.269 -0.894 . . . . 0.0 110.137 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -76.4 -31.01 57.71 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.232 0.539 . . . . 0.0 110.21 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -77.26 -53.4 7.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.407 -0.808 . . . . 0.0 110.159 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -60.11 -45.69 92.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.77 -41.79 98.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.816 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -74.51 -36.14 63.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.263 -0.898 . . . . 0.0 110.435 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.04 -49.15 47.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 110.397 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -38.32 86.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.885 . . . . 0.0 110.2 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -63.31 -53.68 48.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 110.179 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.99 89.94 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.206 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -73.83 -36.31 64.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.336 -0.853 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -68.05 -46.8 70.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -44.66 95.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.84 -30.39 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.815 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.52 -51.01 67.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.377 -0.827 . . . . 0.0 110.196 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -36.45 66.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -68.41 -40.31 81.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.41 -0.806 . . . . 0.0 110.117 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 m -73.1 -33.11 65.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.349 -0.845 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -66.24 -36.39 82.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.131 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.45 -51.22 17.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.403 -0.811 . . . . 0.0 110.121 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.863 . . . . 0.0 110.003 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.171 0.51 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -36.13 74.66 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -62.66 -49.49 74.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.325 -0.859 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.69 -29.43 69.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.58 52.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.368 -0.832 . . . . 0.0 110.127 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -34.27 75.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -61.39 -37.38 83.21 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.44 -0.788 . . . . 0.0 110.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.166 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.189 0.519 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 t -52.79 -26.22 13.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.397 -0.814 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.46 -52.96 21.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 9' ' ' ARG . 35.9 m -67.12 -25.19 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.316 -0.865 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -67.75 -44.97 76.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.344 -0.848 . . . . 0.0 109.904 179.747 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.69 -41.96 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -0.804 . . . . 0.0 109.847 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.8 71.86 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.343 -0.848 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -29.8 61.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.395 -0.816 . . . . 0.0 109.723 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.25 -31.99 70.9 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -53.8 -29.62 41.3 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.405 -0.809 . . . . 0.0 110.54 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 2.5 p90 -39.51 -31.55 0.1 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.437 -0.789 . . . . 0.0 110.759 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 28.0 tp -133.99 42.37 2.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 110.133 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -53.81 -47.13 97.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.751 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.7 Cg_endo -86.9 82.79 1.17 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.639 1.336 . . . . 0.0 109.234 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.21 -6.67 8.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.793 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -28.09 1.67 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.763 -0.586 . . . . 0.0 110.775 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.88 -32.62 67.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.739 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.322 0.582 . . . . 0.0 109.921 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.58 69.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.457 -0.777 . . . . 0.0 110.011 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.1 p -74.44 -35.8 63.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.485 -0.76 . . . . 0.0 110.032 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.78 -47.71 83.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.433 -0.792 . . . . 0.0 109.979 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -67.75 -36.83 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.46 -0.775 . . . . 0.0 110.007 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.73 -47.31 54.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.124 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.22 -40.87 91.69 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.422 -0.799 . . . . 0.0 110.21 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -46.73 88.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.397 -0.815 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.14 70.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -71.7 -38.55 70.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -0.881 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -72.68 -34.11 66.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -73.3 -42.18 62.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -73.94 -38.86 64.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.275 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.98 59.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -62.18 -35.04 77.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.271 -0.893 . . . . 0.0 110.028 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -68.44 -39.08 81.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.43 -0.794 . . . . 0.0 110.225 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 p -65.64 -37.91 87.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.346 -0.846 . . . . 0.0 110.079 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.41 -53.0 61.33 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 110.178 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -60.95 -29.87 69.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.342 -0.849 . . . . 0.0 110.155 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.345 -0.847 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.221 0.534 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -39.78 86.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.9 -53.94 22.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.63 -34.39 75.58 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.11 63.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.43 -0.794 . . . . 0.0 110.051 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -53.61 -38.07 63.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.0 110.23 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -32.89 66.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.813 . . . . 0.0 109.98 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.216 0.532 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -52.85 -26.43 14.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.463 -0.773 . . . . 0.0 110.247 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.29 -51.88 47.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.94 -39.89 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.346 -0.846 . . . . 0.0 110.35 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.13 59.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.13 -48.3 71.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -60.52 -36.97 79.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.359 -0.838 . . . . 0.0 110.212 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -67.29 -31.93 72.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.382 -0.823 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -32.38 45.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.458 -0.776 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -29.66 67.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.349 -0.844 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -40.2 -30.08 0.09 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.493 -0.754 . . . . 0.0 110.809 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 29.5 tp -148.08 43.18 1.05 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.49 -0.756 . . . . 0.0 109.768 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -54.7 -48.51 95.21 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.381 -0.824 . . . . 0.0 110.018 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.1 Cg_endo -92.48 92.66 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 123.475 1.25 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -86.39 -8.85 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.59 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -48.41 -32.58 7.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.748 -0.595 . . . . 0.0 111.037 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.47 -37.49 56.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.19 -0.944 . . . . 0.0 110.276 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.45 -38.33 55.61 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.172 0.51 . . . . 0.0 110.27 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.27 -42.19 93.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.197 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -43.32 74.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.367 -0.833 . . . . 0.0 110.097 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.55 -41.11 66.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 110.036 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 m -61.68 -37.73 85.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -68.13 -47.22 68.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 0.0 109.996 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -71.85 -34.95 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.344 -0.847 . . . . 0.0 110.098 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -61.17 -51.32 69.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.875 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.67 96.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.1 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -38.27 73.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.342 -0.849 . . . . 0.0 110.079 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -73.7 -37.35 65.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.111 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -65.26 -35.29 80.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.83 -37.01 64.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 110.171 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.52 -51.15 59.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.86 78.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.414 -0.804 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.6 -40.81 63.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 m -61.5 -49.07 78.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -37.71 87.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -69.72 -41.33 75.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.035 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.45 -0.781 . . . . 0.0 110.001 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.26 0.552 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -41.29 83.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.04 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.45 -36.3 82.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.398 -0.814 . . . . 0.0 110.059 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.53 -40.06 85.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.113 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.27 96.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.827 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.75 -30.77 68.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.787 . . . . 0.0 110.196 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -46.83 66.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.793 . . . . 0.0 110.185 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 m . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.396 -0.815 . . . . 0.0 110.111 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -55.78 -25.68 42.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 110.143 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.35 -52.94 9.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.339 -0.85 . . . . 0.0 110.551 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.11 -25.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.271 -0.893 . . . . 0.0 110.346 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -74.58 -48.41 26.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.282 -0.886 . . . . 0.0 110.167 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.07 -47.09 66.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -42.92 86.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -66.81 -31.98 72.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.49 46.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -0.836 . . . . 0.0 110.498 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -29.72 68.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.437 -0.79 . . . . 0.0 110.873 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.3 p90 -43.51 -26.96 0.24 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.814 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -160.35 37.01 0.17 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.439 -0.788 . . . . 0.0 109.964 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.556 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.6 m -52.17 -41.95 83.53 Favored Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.493 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.6 Cg_endo -91.87 88.26 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.241 1.127 . . . . 0.0 109.589 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -78.33 -7.34 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.7 ptt180 -47.56 -29.69 3.03 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.668 -0.645 . . . . 0.0 110.692 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 15.2 t70 -76.69 -31.57 57.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.305 -0.872 . . . . 0.0 109.965 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -34.13 58.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.261 0.553 . . . . 0.0 110.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.29 -36.29 46.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.177 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 t -74.55 -41.52 60.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.297 -0.877 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.96 -36.98 67.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.839 . . . . 0.0 110.144 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -74.5 -39.13 62.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -66.71 -36.27 82.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.333 -0.855 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -73.11 -46.95 48.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.847 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -69.63 -43.34 72.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.05 77.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.853 . . . . 0.0 110.145 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -42.07 61.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.419 -0.801 . . . . 0.0 110.197 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -61.7 -41.46 97.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.61 71.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 110.189 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.71 64.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 0.0 110.21 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.72 82.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.41 -0.806 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 mtm-85 -73.27 -41.29 63.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -70.62 -42.76 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -60.87 -47.1 87.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.334 -0.854 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -71.27 -32.69 68.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.32 -0.862 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -72.77 -38.17 67.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 110.421 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.366 -0.833 . . . . 0.0 110.386 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.168 0.509 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -40.23 71.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.401 -0.812 . . . . 0.0 110.154 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.79 -47.41 66.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.866 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.13 -34.35 76.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.457 -0.777 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.44 73.7 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.8 -31.64 68.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -72.84 -33.73 66.35 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.143 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -52.85 -26.3 14.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.333 -0.854 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -73.16 -52.5 13.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 9' ' ' ARG . 34.5 m -69.79 -25.48 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' N ' HG23 ' A' ' 8' ' ' VAL . 1.3 tpp180 -74.4 -48.12 29.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.187 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.84 -43.04 94.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.355 -0.841 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -61.25 -41.12 96.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.394 -0.816 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -68.48 -30.29 69.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.424 -0.798 . . . . 0.0 110.184 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -32.42 46.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -59.4 -29.45 67.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.357 -0.839 . . . . 0.0 110.755 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.8 p90 -41.32 -28.88 0.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.458 -0.776 . . . . 0.0 110.424 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 1.8 tt -159.8 39.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.591 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.2 m -54.57 -40.28 81.89 Favored Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.371 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.9 Cg_endo -92.82 94.75 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.398 1.21 . . . . 0.0 109.411 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.5 t -72.02 -8.72 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.387 -0.821 . . . . 0.0 110.873 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -47.48 -29.54 2.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.671 -0.643 . . . . 0.0 110.496 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.7 t0 -76.5 -32.6 58.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 109.736 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.55 -29.99 67.69 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.329 0.585 . . . . 0.0 109.775 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.88 -46.81 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.478 -0.764 . . . . 0.0 110.085 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 t -66.96 -44.25 81.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.047 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.61 -43.88 88.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.82 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.2 p -66.48 -32.08 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.836 . . . . 0.0 110.064 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.94 -45.24 90.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -71.94 -41.41 67.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -69.85 -47.52 62.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.118 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.28 85.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.333 -0.854 . . . . 0.0 110.143 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -64.69 -28.62 69.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.422 -0.799 . . . . 0.0 110.059 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 t -73.4 -34.52 65.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.332 -0.855 . . . . 0.0 110.071 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -36.8 65.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.331 -0.856 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.41 -37.7 65.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.415 -0.803 . . . . 0.0 110.123 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.96 87.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -65.6 -50.18 66.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -0.809 . . . . 0.0 110.189 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.63 -37.58 85.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.42 -0.8 . . . . 0.0 110.15 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -66.13 -49.2 68.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.313 -0.867 . . . . 0.0 110.146 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.75 -34.13 77.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -32.63 71.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.163 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.39 -0.819 . . . . 0.0 110.048 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.139 0.495 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.38 -36.75 66.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -75.4 -31.87 60.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.95 -48.05 26.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.95 89.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.818 . . . . 0.0 110.227 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.48 -31.86 62.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.311 -0.868 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -31.79 65.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.391 -0.818 . . . . 0.0 110.356 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.273 0.559 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m -53.01 -26.43 15.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.56 -42.49 58.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.76 -35.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 109.896 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -69.64 -47.91 61.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.815 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.67 -41.87 87.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.346 -0.847 . . . . 0.0 110.017 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.72 71.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.855 . . . . 0.0 109.904 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -67.71 -34.97 77.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.447 -0.783 . . . . 0.0 110.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -32.38 59.51 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.439 -0.788 . . . . 0.0 110.174 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.33 -29.08 68.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.457 -0.777 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -38.83 -30.19 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.549 -0.719 . . . . 0.0 111.384 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' SER . 1.8 tt -137.86 38.58 2.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 110.651 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.558 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.9 -45.4 98.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.907 . . . . 0.0 109.87 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.3 Cg_endo -90.67 95.33 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.63 1.331 . . . . 0.0 109.073 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.18 -8.72 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.063 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 7.0 ptp180 -47.38 -28.64 2.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.571 -0.705 . . . . 0.0 110.469 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.5 t0 -76.15 -32.24 58.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.723 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.48 -31.67 68.88 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.39 0.614 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -46.33 51.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -62.39 -42.36 99.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 109.998 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -44.63 73.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.449 -0.782 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.4 t -62.94 -36.95 85.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.444 -0.785 . . . . 0.0 110.038 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -67.8 -33.97 75.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.322 -0.862 . . . . 0.0 110.021 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -65.24 -44.8 87.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.53 -42.08 95.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.797 . . . . 0.0 110.194 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.27 85.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.149 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -35.08 64.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -73.56 -42.26 61.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.328 -0.857 . . . . 0.0 110.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -39.19 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 110.147 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.92 -31.52 66.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.867 . . . . 0.0 110.154 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.05 87.76 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.133 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -73.24 -34.95 66.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.306 -0.871 . . . . 0.0 110.134 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -47.56 78.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 110.082 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -49.01 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.311 -0.868 . . . . 0.0 110.174 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -65.13 -32.77 74.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.445 -0.784 . . . . 0.0 110.101 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -70.5 -30.11 66.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.378 -0.826 . . . . 0.0 110.271 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.209 0.528 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.49 -41.55 69.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.56 -45.28 83.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.426 -0.796 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.26 -42.15 98.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.381 -0.824 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.19 90.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.6 -38.13 62.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -64.7 -31.87 73.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.212 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.92 -26.25 14.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.825 . . . . 0.0 110.288 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.4 -52.7 12.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.78 -30.03 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.355 -0.841 . . . . 0.0 110.086 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -73.6 -45.64 51.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.86 -52.89 63.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.7 -31.37 71.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.464 -0.772 . . . . 0.0 110.316 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 52.7 ttm-85 -66.46 -33.23 75.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.348 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -79.08 -35.59 42.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -29.46 67.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.854 . . . . 0.0 110.766 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -29.28 0.07 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.475 -0.765 . . . . 0.0 111.215 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -144.12 39.04 1.32 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.927 . . . . 0.0 110.294 179.304 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.91 -47.87 93.66 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.009 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.0 Cg_endo -92.09 94.08 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.54 1.284 . . . . 0.0 109.296 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.58 -8.6 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 110.828 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptt180 -47.5 -28.23 2.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.702 -0.623 . . . . 0.0 110.657 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.8 t70 -76.26 -29.45 57.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 109.961 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.15 -31.91 58.81 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.343 0.592 . . . . 0.0 109.697 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.12 -33.79 50.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.476 -0.765 . . . . 0.0 110.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -70.17 -46.51 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.2 -41.76 89.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.432 -0.793 . . . . 0.0 110.071 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -63.4 -41.45 98.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.011 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -71.62 -38.05 70.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.407 -0.808 . . . . 0.0 110.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -42.52 91.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.804 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -41.62 90.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.062 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.29 -41.92 72.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 0.0 110.061 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -39.36 94.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.445 -0.784 . . . . 0.0 110.061 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -68.75 -36.13 77.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.201 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -46.45 87.69 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.61 91.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.64 76.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.098 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -67.8 -44.02 78.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.98 -37.57 87.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -62.01 -47.16 86.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.814 . . . . 0.0 110.086 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -62.45 -36.69 83.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -47.71 38.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 110.124 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.284 -0.885 . . . . 0.0 110.162 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.316 0.579 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.85 -33.81 76.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.291 -0.88 . . . . 0.0 110.147 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.94 -38.82 89.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.413 -0.804 . . . . 0.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.15 -34.94 77.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.33 92.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.8 -32.98 74.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.139 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -69.79 -33.32 72.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.455 -0.778 . . . . 0.0 110.225 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.367 -0.833 . . . . 0.0 110.19 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.042 0.449 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -53.35 -26.3 18.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.273 -0.892 . . . . 0.0 110.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.67 -52.99 12.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.49 -25.57 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -66.7 -51.15 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.34 -42.78 99.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.321 -0.862 . . . . 0.0 109.995 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -63.07 -33.67 75.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 ttm180 -70.37 -29.87 66.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.372 -0.83 . . . . 0.0 110.088 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -75.0 -32.29 61.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.56 67.07 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.364 -0.835 . . . . 0.0 110.506 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.07 -28.1 0.16 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.432 -0.793 . . . . 0.0 110.906 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.9 tp -142.47 39.02 1.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 0.0 110.088 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.65 -46.9 98.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.271 -0.893 . . . . 0.0 109.707 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -91.54 93.98 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.673 1.354 . . . . 0.0 109.153 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.15 -7.56 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 0.0 110.848 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 3.9 ptm180 -47.29 -28.25 1.9 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.685 -0.635 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 t70 -70.34 -39.64 74.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.437 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.498 0.666 . . . . 0.0 109.357 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.04 -30.85 69.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -62.56 -50.87 69.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 0.0 109.917 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -48.25 81.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 0.0 109.944 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -63.73 -35.43 80.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 109.724 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -70.09 -38.15 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 0.0 109.947 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.06 85.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.335 -0.853 . . . . 0.0 110.018 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.86 -43.76 98.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 0.0 110.024 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.342 -0.848 . . . . 0.0 110.191 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.321 -0.862 . . . . 0.0 110.127 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.3 p -60.4 -46.19 90.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -61.11 -47.71 85.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.134 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -32.6 73.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.36 -0.838 . . . . 0.0 110.021 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.99 95.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.407 -0.808 . . . . 0.0 109.994 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -62.0 -53.82 50.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.037 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -58.76 -36.14 73.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.793 . . . . 0.0 110.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -68.4 -40.45 81.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.928 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -36.06 74.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.417 -0.802 . . . . 0.0 110.008 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -50.51 48.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 0.0 109.999 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.451 -0.78 . . . . 0.0 110.461 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.226 0.536 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.92 -30.89 64.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.397 -0.814 . . . . 0.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.22 -53.65 54.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 0.0 110.121 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.81 -34.4 77.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.423 -0.798 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.3 90.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -33.63 69.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.0 110.012 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -72.67 -31.64 65.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.341 -0.849 . . . . 0.0 110.248 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.224 0.535 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -52.85 -26.29 14.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.0 110.362 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -62.69 -52.76 62.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.477 -0.764 . . . . 0.0 110.327 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 9' ' ' ARG . 7.1 p -70.32 -25.17 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.347 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -72.61 -50.88 22.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 110.194 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.43 -44.34 62.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -35.34 76.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.347 -0.846 . . . . 0.0 110.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -74.82 -30.32 61.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.109 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.0 72.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.854 . . . . 0.0 110.199 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -29.33 67.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.4 -0.812 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.1 p90 -41.66 -27.94 0.12 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.521 -0.737 . . . . 0.0 110.919 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 26.1 tp -139.39 39.48 2.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.3 -0.875 . . . . 0.0 110.318 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.552 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.4 -45.7 98.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.617 179.245 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.3 Cg_endo -89.56 91.5 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.661 1.348 . . . . 0.0 108.867 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.99 -7.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 111.022 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 14.5 ptt180 -47.24 -29.02 2.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.4 t70 -76.46 -32.39 58.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.907 . . . . 0.0 109.711 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -31.2 68.37 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.381 0.61 . . . . 0.0 109.675 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.19 -45.12 50.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.419 -0.8 . . . . 0.0 109.91 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.93 74.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.343 -0.848 . . . . 0.0 109.998 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.35 -48.12 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.003 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -70.86 -36.45 72.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 110.033 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.26 -36.32 74.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 0.0 110.091 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -69.39 -40.73 77.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.85 . . . . 0.0 110.096 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.95 -43.77 98.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.079 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.88 70.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.018 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.366 -0.834 . . . . 0.0 110.114 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -47.85 82.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.858 . . . . 0.0 110.099 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -43.01 99.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.324 -0.86 . . . . 0.0 109.993 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -62.89 -41.84 99.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.505 -0.747 . . . . 0.0 110.084 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.88 -36.14 77.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.409 -0.807 . . . . 0.0 110.144 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -67.14 -38.23 85.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.331 -0.856 . . . . 0.0 110.116 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -32.12 64.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.827 . . . . 0.0 110.017 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.9 p -71.28 -39.52 71.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.807 . . . . 0.0 110.152 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -69.16 -37.24 78.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 110.078 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.21 75.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 0.0 110.055 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 110.051 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 121.076 0.465 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.35 -39.56 71.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.396 -0.815 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.79 70.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.852 . . . . 0.0 110.203 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.68 -50.49 72.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.89 88.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.375 -0.828 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.67 -31.98 72.97 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.176 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -71.01 -50.59 32.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.85 . . . . 0.0 110.188 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.45 -0.781 . . . . 0.0 110.152 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.7 m . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.261 0.553 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -53.53 -26.1 19.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -0.877 . . . . 0.0 110.207 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.36 -52.83 14.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.443 -0.786 . . . . 0.0 110.33 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 9' ' ' ARG . 35.6 m -65.57 -25.3 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 110.342 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' N ' HG23 ' A' ' 8' ' ' VAL . 20.5 ttt85 -73.68 -39.21 64.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 0.0 110.039 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -44.68 67.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.061 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -61.5 -43.26 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.379 -0.826 . . . . 0.0 110.217 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -29.74 69.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -32.09 51.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.448 -0.782 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.14 62.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.425 -0.797 . . . . 0.0 110.693 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.7 p90 -43.4 -28.34 0.34 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.426 -0.796 . . . . 0.0 110.499 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -144.44 38.85 1.27 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.441 -0.787 . . . . 0.0 109.804 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -51.43 -48.19 86.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.208 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.6 Cg_endo -89.94 89.1 0.35 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.658 1.346 . . . . 0.0 109.257 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.2 t -73.91 -8.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.784 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.7 ptt85 -47.54 -28.85 2.45 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.738 -0.601 . . . . 0.0 110.626 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -76.57 -29.3 56.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.333 -0.855 . . . . 0.0 109.903 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.37 -31.24 60.42 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.285 0.564 . . . . 0.0 109.869 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -40.95 36.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.465 -0.772 . . . . 0.0 110.097 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -44.71 71.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.359 -0.838 . . . . 0.0 110.186 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -39.3 88.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -71.71 -32.52 67.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.061 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -71.54 -39.38 70.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.421 -0.799 . . . . 0.0 110.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -71.99 -35.22 69.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.84 -43.25 72.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.388 -0.82 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.63 96.36 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 0.0 110.086 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.84 -32.44 63.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.19 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 t -71.42 -41.04 70.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.42 -0.8 . . . . 0.0 110.151 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -34.2 74.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.44 -0.788 . . . . 0.0 110.134 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -73.85 -38.71 64.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.072 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.18 -46.65 64.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.321 -0.862 . . . . 0.0 110.094 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -62.92 -38.52 91.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.65 -41.46 96.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -61.91 -38.78 89.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.14 -40.63 96.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.383 -0.823 . . . . 0.0 110.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.59 -39.85 64.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.334 -0.854 . . . . 0.0 110.234 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 110.352 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.192 0.52 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.0 -44.7 72.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.435 -0.791 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.5 -45.18 95.31 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.211 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -42.09 96.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.335 -0.853 . . . . 0.0 110.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -32.53 69.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.8 -41.03 92.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.364 -0.835 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -72.79 -36.99 67.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.883 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.357 -0.84 . . . . 0.0 110.134 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.254 0.549 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.9 p -53.08 -26.3 15.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.361 -0.837 . . . . 0.0 110.279 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.19 -52.67 62.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.434 -0.791 . . . . 0.0 110.216 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG21 ' N ' ' A' ' 9' ' ' ARG . 34.7 m -72.85 -25.46 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.335 -0.853 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' N ' HG21 ' A' ' 8' ' ' VAL . 2.5 mtt180 -74.59 -39.75 62.03 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.257 -0.902 . . . . 0.0 110.097 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.58 -38.01 65.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.205 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -42.77 94.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -0.814 . . . . 0.0 110.039 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -29.71 60.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.167 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -32.13 72.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -30.02 34.68 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.325 -0.859 . . . . 0.0 110.549 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -41.64 -30.7 0.24 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.405 -0.81 . . . . 0.0 110.586 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 29.0 tp -141.33 40.11 1.75 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -52.96 -46.52 97.37 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.959 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.9 Cg_endo -89.76 88.42 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.601 1.316 . . . . 0.0 109.275 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.03 -6.84 9.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.728 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.33 -28.67 2.11 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.663 -0.648 . . . . 0.0 110.599 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 t0 -76.41 -31.53 57.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.803 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.89 -30.78 64.22 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.354 0.597 . . . . 0.0 109.804 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.8 -44.17 50.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -62.34 -39.13 92.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.052 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.36 -39.84 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.806 . . . . 0.0 110.004 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 m -71.36 -34.61 70.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.361 -0.837 . . . . 0.0 110.128 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -70.13 -44.19 69.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 110.033 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -43.17 83.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.299 -0.876 . . . . 0.0 110.093 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -62.59 -43.65 98.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.41 -0.806 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.7 70.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.62 -47.62 82.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.443 -0.786 . . . . 0.0 110.093 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -72.73 -36.44 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.089 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.18 -38.86 89.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.375 -0.828 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.54 -42.96 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -65.58 -43.23 90.39 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -0.839 . . . . 0.0 110.061 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -34.63 74.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.021 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 m -65.81 -45.47 82.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 110.138 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -33.35 75.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.841 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -52.26 23.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.149 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.02 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.168 0.509 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.09 -39.6 82.69 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.412 -0.805 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -64.2 -41.44 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.216 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -68.87 -42.91 76.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.33 86.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.08 -33.83 76.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.449 -0.782 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -31.87 65.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.205 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.214 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.077 0.465 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -53.81 -26.62 24.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.391 -0.818 . . . . 0.0 110.202 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -50.33 13.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.29 -31.77 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.329 -0.857 . . . . 0.0 110.279 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -73.03 -51.08 19.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.86 . . . . 0.0 110.187 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -37.65 84.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.833 . . . . 0.0 110.096 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -69.6 -30.41 68.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -31.12 66.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.194 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -78.61 -32.33 47.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.319 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -29.67 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.378 -0.826 . . . . 0.0 110.625 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -40.56 -29.69 0.1 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.486 -0.759 . . . . 0.0 111.144 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.63 38.43 1.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 0.0 110.168 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.12 -47.17 96.83 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.435 -0.791 . . . . 0.0 110.18 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -92.14 94.04 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.552 1.29 . . . . 0.0 109.396 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.3 t -72.66 -8.74 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.701 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.0 ptm180 -47.96 -28.42 2.73 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.692 -0.63 . . . . 0.0 110.51 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.2 t70 -76.23 -29.93 57.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.847 . . . . 0.0 109.836 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -74.3 -32.06 62.73 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.354 0.597 . . . . 0.0 109.69 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -74.51 -39.04 62.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.517 -0.74 . . . . 0.0 109.964 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -43.93 87.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.385 -0.822 . . . . 0.0 110.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.99 -44.84 95.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.387 -0.821 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -66.28 -41.24 90.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 110.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.72 -40.92 97.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.395 -0.816 . . . . 0.0 110.099 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -32.05 73.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 110.167 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -44.17 81.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -0.851 . . . . 0.0 110.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.45 76.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -62.44 -37.82 87.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.16 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -71.68 -33.57 68.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -45.01 95.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.397 -0.815 . . . . 0.0 110.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -73.49 -37.05 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.793 . . . . 0.0 110.144 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -45.49 66.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.29 -0.881 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.44 -34.89 78.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.51 -50.43 67.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.168 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -58.29 -38.75 77.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.381 -0.824 . . . . 0.0 110.195 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.55 -40.56 97.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -73.67 -43.71 58.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.397 -0.815 . . . . 0.0 110.204 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.0 110.358 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.174 0.512 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -31.01 71.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 110.044 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -61.06 -51.93 67.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 110.095 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.53 -29.4 70.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.425 -0.797 . . . . 0.0 110.024 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.96 64.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.35 -0.844 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.82 -31.5 72.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.148 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -72.8 -35.57 67.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -0.834 . . . . 0.0 110.155 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.316 -0.865 . . . . 0.0 110.159 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.131 0.491 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -52.78 -26.56 14.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.372 -0.83 . . . . 0.0 110.207 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -75.23 -48.89 21.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.368 -0.832 . . . . 0.0 110.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.29 -28.26 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -50.96 51.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.401 -0.812 . . . . 0.0 110.144 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -44.6 96.99 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.315 -0.865 . . . . 0.0 110.076 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -30.33 68.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 110.156 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.3 mmm180 -68.14 -30.3 69.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.897 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.86 -41.55 29.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.402 -0.811 . . . . 0.0 110.369 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.71 66.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -41.11 -28.99 0.1 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.58 -0.7 . . . . 0.0 110.853 -179.455 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 1.4 tp -141.46 40.2 1.73 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.321 -0.862 . . . . 0.0 110.243 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.547 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -51.52 -46.26 90.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.877 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.4 Cg_endo -88.29 89.11 0.49 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.62 1.326 . . . . 0.0 108.863 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.0 t -71.04 -8.39 11.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.007 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.2 ptm180 -47.35 -29.12 2.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.607 -0.683 . . . . 0.0 110.432 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.1 t70 -76.41 -32.91 58.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.95 -31.32 70.11 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.33 0.586 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.39 -43.7 48.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.557 -0.714 . . . . 0.0 109.963 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -67.68 -41.32 83.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 109.962 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.38 -47.71 80.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.432 -0.793 . . . . 0.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -63.24 -35.53 80.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 0.0 109.984 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -71.74 -35.78 70.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.804 . . . . 0.0 110.126 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -70.63 -39.63 73.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 110.047 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -37.67 87.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.388 -0.82 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.56 71.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.034 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -63.77 -44.14 94.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.381 -0.824 . . . . 0.0 110.023 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -40.55 97.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.84 . . . . 0.0 110.027 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.75 98.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.112 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -44.55 64.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.336 -0.853 . . . . 0.0 110.136 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.66 93.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -62.35 -49.03 77.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.205 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.66 -38.77 87.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.155 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.41 -0.806 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -62.57 -34.01 76.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -73.62 -35.27 65.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.423 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.142 0.496 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.55 -31.01 44.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.39 -0.818 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.91 -42.01 67.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 110.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.65 -40.79 88.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.429 -0.795 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.66 96.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -67.45 -31.19 71.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.274 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.24 -35.78 76.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.383 -0.823 . . . . 0.0 110.17 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.22 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.241 0.543 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -53.56 -26.07 19.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 110.325 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.05 -52.17 66.5 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.361 -0.837 . . . . 0.0 110.44 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 9' ' ' ARG . 8.2 p -75.23 -26.01 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.464 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.41 ' N ' HG11 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -74.5 -50.84 16.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.262 -0.899 . . . . 0.0 110.021 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -63.01 -50.93 68.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.449 -0.782 . . . . 0.0 110.173 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -38.86 77.1 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 4.3 tpp180 -63.99 -32.48 74.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.308 -0.87 . . . . 0.0 110.124 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -32.54 47.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.72 -29.12 67.47 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.325 -0.859 . . . . 0.0 110.712 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -38.42 -30.77 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.561 -0.712 . . . . 0.0 110.822 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -149.29 46.55 0.98 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.38 -0.825 . . . . 0.0 109.724 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -51.85 -46.78 92.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.711 -0.618 . . . . 0.0 110.344 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -85.95 82.57 1.44 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.561 1.295 . . . . 0.0 109.285 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 46.8 t -79.67 -6.61 9.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.748 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -47.38 -29.09 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.751 -0.593 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -32.66 58.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 110.066 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.41 -30.96 57.66 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -35.28 55.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.423 -0.798 . . . . 0.0 110.176 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -39.54 67.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.348 -0.845 . . . . 0.0 110.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -72.14 -35.58 69.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 110.15 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -74.59 -38.65 62.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.398 -0.814 . . . . 0.0 110.17 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.17 -46.77 87.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -71.17 -31.87 68.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.359 -0.838 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -62.75 -41.57 99.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.92 68.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -0.836 . . . . 0.0 110.157 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -73.28 -41.87 63.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 0.0 110.184 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.8 m -63.63 -39.84 95.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.287 -0.883 . . . . 0.0 110.162 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -66.91 -43.9 82.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.379 -0.826 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.73 -42.56 61.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.0 110.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.99 85.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -38.06 66.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.363 -0.836 . . . . 0.0 110.201 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -73.27 -39.33 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.363 -0.836 . . . . 0.0 110.173 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -52.58 63.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.381 -0.824 . . . . 0.0 110.193 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.63 73.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.53 -43.19 60.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.454 -0.779 . . . . 0.0 110.117 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.204 0.526 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.6 -40.33 94.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.384 -0.822 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.02 -42.92 99.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.393 -0.817 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.65 -38.35 73.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.166 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.48 69.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 0.0 110.206 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.75 -49.35 66.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.174 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.83 -54.55 40.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.259 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.41 167.75 26.51 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 O-C-N 123.802 1.422 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 mtt -102.03 147.96 25.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -0.837 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -81.52 -20.27 40.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.2 p -58.25 -31.75 67.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.226 -0.921 . . . . 0.0 110.373 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -52.84 -26.28 14.11 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.277 -0.889 . . . . 0.0 110.39 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.65 -52.77 10.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.368 -0.833 . . . . 0.0 110.352 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.27 -25.84 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.324 -0.86 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -68.64 -50.79 48.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.353 -0.842 . . . . 0.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.28 -44.09 84.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.325 -0.859 . . . . 0.0 110.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -33.59 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.142 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 7.8 ttt180 -75.07 -29.62 60.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.36 -0.837 . . . . 0.0 110.372 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -32.49 57.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.457 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.81 67.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.413 -0.804 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.12 -28.07 0.16 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.479 -0.763 . . . . 0.0 110.963 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -143.57 38.0 1.36 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.323 -0.86 . . . . 0.0 110.236 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.72 -48.46 90.78 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.909 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.5 Cg_endo -91.93 93.82 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.558 1.294 . . . . 0.0 109.377 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.7 t -70.98 -9.18 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 110.866 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.52 -29.92 3.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.682 -0.636 . . . . 0.0 110.582 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 11.4 t70 -76.6 -32.63 58.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 109.882 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.36 -30.98 70.05 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.356 0.598 . . . . 0.0 109.715 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.36 -46.65 26.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.525 -0.734 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 m -68.9 -39.19 79.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.15 -41.29 97.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.5 p -71.41 -34.7 70.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.471 -0.768 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.91 -46.79 56.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.15 -35.83 79.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.377 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -43.5 72.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 110.249 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.27 73.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.35 -0.844 . . . . 0.0 110.319 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -73.77 -40.3 63.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.343 -0.848 . . . . 0.0 110.241 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -75.12 -36.79 61.61 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.378 -0.826 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -47.95 74.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.0 110.296 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.99 -33.2 63.74 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.428 -0.795 . . . . 0.0 110.259 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.69 -52.18 40.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.348 -0.845 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.58 -34.89 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.24 -35.34 77.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.371 -0.831 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.5 p -73.14 -37.53 66.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.37 -0.831 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -66.4 -55.36 16.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.232 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -29.99 71.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.33 -0.856 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -61.42 -57.95 10.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.6 m -53.36 -41.74 66.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.496 -0.752 . . . . 0.0 109.518 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 178.13 -178.47 0.25 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -66.74 -26.39 73.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 7.5 t 70.26 -12.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.585 -0.95 . . . . 0.0 111.418 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 44' ' ' GLY . 3.3 m 54.19 26.52 6.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.949 -1.094 . . . . 0.0 110.457 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.18 -53.17 0.51 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.444 -0.785 . . . . 0.0 110.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -65.85 -28.98 69.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -65.3 -34.38 78.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.837 . . . . 0.0 110.159 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -42.61 99.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.324 -0.86 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.07 -44.9 71.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.443 -0.786 . . . . 0.0 110.163 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.84 -40.34 95.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.323 -0.861 . . . . 0.0 110.06 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.91 78.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.81 . . . . 0.0 110.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.44 -37.68 63.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.183 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -70.33 -42.59 71.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.322 -0.861 . . . . 0.0 110.154 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.52 -37.58 87.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.384 -0.822 . . . . 0.0 110.063 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt 57.95 160.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.625 -0.672 . . . . 0.0 110.452 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -136.39 108.36 0.66 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.79 -160.29 0.76 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.475 -1.015 . . . . 0.0 110.178 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.209 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.55 -50.2 0.24 Allowed 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.463 1.244 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.1 mtm -150.63 111.51 4.3 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.333 -0.855 . . . . 0.0 110.164 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -161.97 45.22 0.16 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.392 -0.818 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -65.0 -31.59 72.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.312 -0.868 . . . . 0.0 110.097 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -52.9 -26.32 14.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.465 -0.772 . . . . 0.0 110.337 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.66 -52.95 15.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.285 -0.884 . . . . 0.0 110.197 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.0 -25.39 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.096 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -46.51 64.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.064 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -62.64 -47.99 81.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.422 -0.799 . . . . 0.0 110.08 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -57.52 -39.56 76.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.87 -33.94 62.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.402 -0.811 . . . . 0.0 109.982 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.25 -31.95 70.69 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.488 -0.757 . . . . 0.0 110.168 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -29.3 14.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.414 -0.804 . . . . 0.0 110.622 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.5 -29.47 0.16 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 111.171 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.9 tp -115.53 28.38 8.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.627 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.603 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 88.6 m -57.11 -41.31 90.54 Favored Pre-proline 0 N--CA 1.487 1.411 0 O-C-N 120.957 -1.09 . . . . 0.0 109.885 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.5 Cg_endo -89.32 89.41 0.39 Allowed 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.426 1.224 . . . . 0.0 109.213 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.53 -6.75 8.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.879 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 6.2 ptt180 -47.39 -28.35 2.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.735 -0.603 . . . . 0.0 110.666 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 8.5 t70 -76.26 -29.63 57.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.353 -0.842 . . . . 0.0 109.841 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.97 -31.38 59.0 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.405 0.622 . . . . 0.0 109.777 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 -46.2 55.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 110.068 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -66.26 -38.52 88.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.789 . . . . 0.0 110.028 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.72 -43.02 63.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.31 -0.868 . . . . 0.0 110.047 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -65.84 -37.02 85.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.457 -0.777 . . . . 0.0 109.995 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.82 -42.91 94.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -71.2 -35.44 71.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.823 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.93 76.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.404 -0.81 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.4 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.413 -0.804 . . . . 0.0 110.157 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -38.22 87.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -38.13 79.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.393 -0.817 . . . . 0.0 110.101 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -69.21 -35.16 75.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.398 -0.814 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.97 -40.18 83.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.406 -0.809 . . . . 0.0 110.141 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.22 72.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.323 -0.861 . . . . 0.0 110.139 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -66.68 -34.82 78.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.322 -0.861 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -58.75 -39.57 81.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.189 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.8 p -72.94 -39.56 66.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.335 -0.853 . . . . 0.0 110.121 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -72.34 -40.41 67.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.373 -0.829 . . . . 0.0 110.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.86 -39.17 93.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.449 -0.782 . . . . 0.0 110.164 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -58.28 6.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.344 -0.848 . . . . 0.0 109.941 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.7 m -60.48 -27.96 67.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 62.94 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.726 -0.609 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 174.57 73.88 0.05 OUTLIER Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.31 -44.12 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.317 -1.108 . . . . 0.0 110.509 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.7 p -61.12 -12.48 12.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.361 -0.837 . . . . 0.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.17 -6.34 10.88 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.689 -0.632 . . . . 0.0 110.111 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 m -129.96 -48.64 1.12 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.2 -0.937 . . . . 0.0 110.063 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -30.24 69.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.816 . . . . 0.0 110.168 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.24 -30.92 52.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.353 -0.842 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.48 -35.09 79.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.175 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.97 -37.23 61.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.92 97.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.392 -0.818 . . . . 0.0 110.149 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.46 -30.92 62.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -71.37 -35.1 70.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.391 -0.818 . . . . 0.0 110.185 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 m -74.78 -31.69 61.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.375 -0.828 . . . . 0.0 110.23 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.7 mt 52.36 79.73 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.265 -0.897 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.84 165.88 12.25 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -114.24 -28.48 7.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.411 -1.052 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.226 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.98 -41.52 1.34 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.834 1.439 . . . . 0.0 110.351 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.2 mtt 51.95 40.58 28.47 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.339 -0.85 . . . . 0.0 110.496 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.8 42.52 0.55 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.383 -0.823 . . . . 0.0 110.213 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -66.38 -31.62 72.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 110.136 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -52.95 -26.36 14.85 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.789 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -66.37 -51.15 60.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.73 -35.66 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -0.866 . . . . 0.0 110.055 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -44.81 70.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.44 -44.7 92.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.404 -0.81 . . . . 0.0 110.154 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -65.54 -30.31 71.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.454 -0.779 . . . . 0.0 110.135 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.35 -33.57 74.53 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.224 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -78.64 -32.45 47.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -60.49 -29.27 68.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.4 -0.813 . . . . 0.0 110.672 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.3 p90 -38.73 -30.75 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.545 -0.722 . . . . 0.0 111.168 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 1.6 tt -141.33 42.69 1.77 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.262 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.1 -46.99 99.7 Favored Pre-proline 0 N--CA 1.491 1.589 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.985 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -90.71 91.81 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.577 1.304 . . . . 0.0 109.584 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.41 ' CG2' ' CD2' ' A' ' 16' ' ' LEU . 62.7 t -76.03 -6.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.584 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.25 -28.15 1.81 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.713 -0.617 . . . . 0.0 110.756 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 13.3 t70 -76.17 -31.28 58.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.306 -0.871 . . . . 0.0 109.806 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -32.9 61.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.35 0.595 . . . . 0.0 109.878 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -76.81 -37.55 55.55 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.463 -0.773 . . . . 0.0 109.973 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -64.98 -45.33 86.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.039 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.56 -39.67 91.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -73.04 -31.61 64.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.12 -51.04 68.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -63.2 -44.83 94.25 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.301 -0.875 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.32 -31.93 71.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.421 -0.799 . . . . 0.0 110.214 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.51 74.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -32.67 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.414 -0.803 . . . . 0.0 110.135 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -71.41 -46.16 60.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.87 -40.74 98.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.282 -0.886 . . . . 0.0 110.045 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.98 -42.95 99.71 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.116 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.69 76.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -65.27 -42.67 92.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -60.26 -45.69 92.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.362 -0.836 . . . . 0.0 109.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 p -58.61 -39.64 81.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 109.914 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -66.53 -33.45 75.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -61.34 -46.8 88.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.397 -0.814 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -57.88 10.81 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.837 . . . . 0.0 109.849 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 p -55.93 -27.36 51.96 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.452 -0.78 . . . . 0.0 109.841 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.63 13.07 9.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.644 -0.66 . . . . 0.0 110.743 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 94.18 -32.99 5.51 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 8.9 t 69.59 -10.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 121.537 -0.978 . . . . 0.0 111.218 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m 56.89 35.48 26.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.96 -1.088 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -58.97 0.51 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.178 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 m -89.67 -12.04 40.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 110.474 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -34.32 72.09 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.12 -0.987 . . . . 0.0 110.316 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.61 -41.53 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.851 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -69.65 -41.74 75.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.304 -0.872 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -43.28 99.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.805 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.64 93.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.08 -30.91 62.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.184 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.68 -39.12 67.32 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -61.16 -49.81 75.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.395 -0.816 . . . . 0.0 110.335 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.12 146.44 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.341 -0.849 . . . . 0.0 110.217 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.96 -176.52 47.89 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.34 -57.25 0.49 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -1.085 . . . . 0.0 110.171 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.8 -27.4 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.801 1.422 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -158.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 t 53.27 32.22 13.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.368 -0.832 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p -72.35 -32.33 66.38 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.361 -0.837 . . . . 0.0 110.201 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -54.17 -25.92 25.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.431 -0.793 . . . . 0.0 110.059 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.94 -52.95 63.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.338 -0.852 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 9' ' ' ARG . 7.3 p -71.02 -25.06 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.114 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' N ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -68.86 -51.0 45.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 0.0 110.073 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.49 -42.72 99.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.345 -0.847 . . . . 0.0 110.077 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -30.15 71.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.083 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.59 -30.65 64.56 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -0.829 . . . . 0.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -76.18 -32.0 58.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.379 -0.826 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -30.15 45.44 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.318 -0.864 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 2.4 p90 -41.68 -30.21 0.22 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.504 -0.748 . . . . 0.0 110.857 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 11.4 tp -150.4 30.09 0.69 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.246 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.5 m -57.44 -42.69 97.17 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.045 -1.034 . . . . 0.0 110.059 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.7 Cg_endo -93.08 88.49 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.365 1.192 . . . . 0.0 109.8 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.69 -7.05 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -47.75 -28.68 2.62 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.809 -0.557 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -76.28 -29.76 57.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 109.918 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.21 -30.26 57.91 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.338 0.589 . . . . 0.0 109.851 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.38 -41.67 55.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.401 -0.812 . . . . 0.0 110.155 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -45.06 76.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.09 -36.03 74.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -74.53 -37.65 62.98 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.06 -38.88 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.347 -0.846 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -70.25 -40.97 74.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.352 -0.843 . . . . 0.0 110.142 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -61.79 -40.76 96.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.59 -50.76 33.81 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -0.902 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.64 85.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 110.216 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -67.36 -33.58 75.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.342 -0.849 . . . . 0.0 110.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -70.09 -37.54 75.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -67.08 -46.01 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.455 -0.778 . . . . 0.0 110.104 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.41 67.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.358 -0.839 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -61.42 -46.12 91.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -59.18 -37.22 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.295 -0.878 . . . . 0.0 110.014 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -61.85 -41.73 98.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.826 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.18 -48.36 81.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.412 -0.805 . . . . 0.0 109.828 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -29.84 63.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -57.91 9.27 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.321 -0.862 . . . . 0.0 110.112 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.0 m -54.33 -27.66 37.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.384 -0.822 . . . . 0.0 109.628 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.57 -157.46 0.34 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.571 -0.706 . . . . 0.0 110.349 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.477 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -74.86 -6.87 79.77 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 5.1 t 71.27 -12.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.512 -0.993 . . . . 0.0 111.328 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m 54.74 35.96 25.18 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.935 -1.103 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mt -141.5 -52.21 0.44 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -0.832 . . . . 0.0 110.108 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.2 p -77.94 -50.63 11.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.373 -0.829 . . . . 0.0 110.147 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.0 -30.45 71.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.389 -0.82 . . . . 0.0 110.127 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -32.97 68.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.324 -0.86 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -45.7 86.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.102 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -70.9 -41.45 71.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.812 . . . . 0.0 110.103 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.32 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.95 -41.83 67.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -72.88 -38.34 67.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.841 . . . . 0.0 110.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -62.89 -39.06 93.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.829 . . . . 0.0 110.205 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 57' ' ' ILE . 82.5 mt 52.63 57.77 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.324 -0.86 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -106.51 -37.83 2.36 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.44 -88.11 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.557 -0.966 . . . . 0.0 110.647 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.6 m . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.062 -1.024 . . . . 0.0 110.165 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.17 -43.56 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.782 1.412 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.06 162.55 41.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 m -123.51 27.9 7.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 110.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -58.3 -31.45 67.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.435 -0.791 . . . . 0.0 110.423 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.74 -26.3 13.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.347 -0.846 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -68.74 -49.59 57.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.83 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.78 -27.97 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.327 -0.858 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -42.57 58.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.817 . . . . 0.0 110.228 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.56 -47.83 83.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.363 -0.836 . . . . 0.0 110.222 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -61.98 -41.36 97.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -68.9 -29.68 68.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -77.91 -31.96 51.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.493 -0.754 . . . . 0.0 110.352 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -52.65 -29.92 28.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.379 -0.826 . . . . 0.0 110.791 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.86 -30.49 0.26 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.346 -0.846 . . . . 0.0 110.389 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 26.6 tp -139.95 41.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.456 -0.778 . . . . 0.0 110.061 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -52.29 -47.36 92.86 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.402 -0.811 . . . . 0.0 109.866 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.6 Cg_endo -87.86 84.01 0.83 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.67 1.353 . . . . 0.0 109.234 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.36 -7.56 10.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.751 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.5 ptp180 -47.44 -29.08 2.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.63 -0.669 . . . . 0.0 110.589 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -76.44 -30.95 57.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.874 . . . . 0.0 109.728 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -32.45 67.1 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.346 0.593 . . . . 0.0 109.77 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.15 -43.53 57.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 m -62.83 -37.47 86.93 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 110.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.15 -44.96 82.66 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -69.6 -31.16 69.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.031 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -63.2 -49.39 74.41 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.827 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -42.2 85.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.171 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -66.63 -39.35 88.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 110.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.59 73.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.854 . . . . 0.0 110.072 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -63.31 -42.75 99.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.778 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -67.44 -37.13 82.54 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -0.859 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -71.65 -32.55 68.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.393 -0.817 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -42.06 81.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.812 . . . . 0.0 110.151 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.68 74.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.384 -0.822 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.68 80.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.378 -0.826 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -38.69 91.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.348 -0.845 . . . . 0.0 110.169 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -70.01 -41.67 74.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 110.138 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -71.0 -34.77 71.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.386 -0.821 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -38.64 89.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.367 -0.833 . . . . 0.0 110.3 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -73.96 -34.37 64.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.5 m -53.3 -31.92 46.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.32 -0.863 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 178.14 -178.42 0.25 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.483 -0.76 . . . . 0.0 110.02 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.472 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -83.04 -32.97 24.9 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 6.3 t 69.49 -11.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.643 -0.916 . . . . 0.0 111.442 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' VAL . 11.5 t 36.49 38.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.483 -0.761 . . . . 0.0 111.436 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mt -139.99 -43.95 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -96.98 -27.09 14.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.77 -30.24 69.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.227 -0.92 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.26 -42.2 80.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.378 -0.826 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.54 -50.29 70.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 0.0 110.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -61.85 -30.52 70.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.171 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.73 -52.38 63.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.216 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.866 . . . . 0.0 110.175 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -72.67 -53.05 12.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.842 . . . . 0.0 110.181 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -60.65 -39.03 86.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.189 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.2 mt -82.29 78.32 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.313 -0.867 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.15 -128.62 0.47 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.08 174.03 13.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -1.067 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.198 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 -33.44 7.62 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.836 1.44 . . . . 0.0 110.454 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 53.07 -177.92 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.35 -0.844 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.66 58.65 4.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.212 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -63.77 -31.53 72.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.2 p -52.83 -26.25 13.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.837 . . . . 0.0 110.311 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -67.13 -51.5 53.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.99 -32.0 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.306 -0.871 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -70.95 -44.84 65.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.383 -0.823 . . . . 0.0 110.161 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.23 -31.71 72.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -71.18 -34.06 70.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -74.53 -29.9 61.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 110.169 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -32.05 58.18 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -0.79 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -29.96 57.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.35 -0.844 . . . . 0.0 110.745 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -41.4 -30.52 0.19 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.439 -0.788 . . . . 0.0 110.662 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.3 tp -143.25 40.24 1.46 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.477 -0.764 . . . . 0.0 109.891 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.536 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -52.63 -46.78 95.71 Favored Pre-proline 0 N--CA 1.49 1.553 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.89 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.2 Cg_endo -90.55 89.62 0.3 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.671 1.353 . . . . 0.0 109.418 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.35 -7.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.0 110.722 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 16.0 ptt85 -47.43 -28.14 2.0 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.7 t70 -75.51 -30.75 59.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 109.862 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -33.64 62.72 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.391 0.615 . . . . 0.0 109.761 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.72 -40.66 40.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.521 -0.737 . . . . 0.0 109.944 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 m -63.06 -39.47 94.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.403 -0.811 . . . . 0.0 110.048 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -38.49 72.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -0.841 . . . . 0.0 110.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -39.22 69.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.369 -0.832 . . . . 0.0 110.081 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.78 -48.73 73.44 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.365 -0.834 . . . . 0.0 110.142 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -40.04 91.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.11 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.47 79.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.407 -0.808 . . . . 0.0 110.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -48.53 49.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 110.14 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.78 99.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.403 -0.811 . . . . 0.0 110.227 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 t -62.54 -46.4 88.54 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 110.191 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -43.09 99.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.387 -0.82 . . . . 0.0 110.175 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -69.02 -46.25 68.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.359 -0.838 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.52 78.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.07 -46.47 51.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -40.3 64.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.403 -0.81 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.4 t -61.46 -52.36 64.86 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 110.343 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -40.6 85.2 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.3 -0.875 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.76 -41.16 75.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.318 -0.864 . . . . 0.0 110.228 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -66.1 -49.65 66.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.405 -0.809 . . . . 0.0 110.521 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 43' ' ' GLN . 61.9 m -52.79 -59.47 4.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -0.828 . . . . 0.0 109.506 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' THR . 1.2 mt-30 170.65 -160.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.717 -0.614 . . . . 0.0 110.081 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.47 36.36 59.14 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 m -150.47 -50.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -1.131 . . . . 0.0 110.638 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.1 p -60.32 -14.07 16.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.966 . . . . 0.0 109.755 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mp -117.14 -11.1 10.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.847 -0.533 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -122.48 -45.82 2.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.184 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.58 -30.6 61.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.47 -0.769 . . . . 0.0 110.359 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.88 -36.82 80.19 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.57 -34.06 74.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.348 -0.845 . . . . 0.0 110.201 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -71.71 -40.54 69.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.39 -0.819 . . . . 0.0 110.119 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.36 88.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.347 -0.846 . . . . 0.0 110.143 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.06 -33.34 65.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 110.133 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -62.71 -31.8 72.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.367 -0.833 . . . . 0.0 110.047 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -59.66 -31.62 69.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.1 mt 52.92 94.7 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.343 -0.848 . . . . 0.0 110.404 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.27 84.73 0.37 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -62.32 -73.09 0.11 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -1.093 . . . . 0.0 110.138 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.186 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.97 71.79 3.4 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.793 1.417 . . . . 0.0 110.443 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.2 mtm -105.94 85.63 2.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.374 -0.828 . . . . 0.0 110.171 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.25 35.73 0.38 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -60.27 -31.47 70.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -52.82 -26.35 14.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.321 -0.862 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.57 -52.59 36.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.393 -0.817 . . . . 0.0 110.222 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 9' ' ' ARG . 33.7 m -73.39 -27.11 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.844 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -74.55 -42.29 59.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.45 -33.52 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -52.38 32.63 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.411 -0.806 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.65 70.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.272 -0.892 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.67 -32.13 67.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.281 -0.887 . . . . 0.0 110.463 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -30.15 63.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 110.686 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.2 p90 -44.02 -26.95 0.33 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.465 -0.772 . . . . 0.0 111.056 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 15.2 tp -132.99 33.0 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.504 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -56.69 -47.15 99.51 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 109.808 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.6 Cg_endo -92.54 89.06 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.434 1.229 . . . . 0.0 109.602 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.43 -7.92 10.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.409 -0.807 . . . . 0.0 110.709 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -47.58 -31.13 4.15 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.711 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -31.4 56.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.269 -0.894 . . . . 0.0 110.137 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -76.4 -31.01 57.71 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.232 0.539 . . . . 0.0 110.21 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -77.26 -53.4 7.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.407 -0.808 . . . . 0.0 110.159 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -60.11 -45.69 92.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.77 -41.79 98.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.816 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -74.51 -36.14 63.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.263 -0.898 . . . . 0.0 110.435 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.04 -49.15 47.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 110.397 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -38.32 86.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.885 . . . . 0.0 110.2 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -63.31 -53.68 48.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 110.179 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.99 89.94 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.206 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -73.83 -36.31 64.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.336 -0.853 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -68.05 -46.8 70.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -44.66 95.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.84 -30.39 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.815 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.52 -51.01 67.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.377 -0.827 . . . . 0.0 110.196 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -36.45 66.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -68.41 -40.31 81.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.41 -0.806 . . . . 0.0 110.117 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 m -73.1 -33.11 65.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.349 -0.845 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -66.24 -36.39 82.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.131 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.45 -51.22 17.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.403 -0.811 . . . . 0.0 110.121 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -58.33 7.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.863 . . . . 0.0 110.003 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -59.23 -27.54 65.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.445 -0.785 . . . . 0.0 109.66 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 61.7 -139.39 0.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.562 -0.711 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.09 27.37 38.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 t -78.17 -7.61 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.844 -0.798 . . . . 0.0 110.511 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 64.67 19.51 11.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.3 -35.92 2.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.391 -0.818 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -114.06 -37.21 4.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.75 -30.82 71.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -36.13 74.66 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -62.66 -49.49 74.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.325 -0.859 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.69 -29.43 69.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.58 52.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.368 -0.832 . . . . 0.0 110.127 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -34.27 75.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -61.39 -37.38 83.21 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.44 -0.788 . . . . 0.0 110.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m -73.86 -31.29 63.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.166 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 tp -141.71 119.35 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.49 -27.7 7.49 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.31 -162.64 0.13 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.344 -1.092 . . . . 0.0 110.35 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.41 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.8 -44.06 0.73 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.839 1.441 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 52.29 -176.53 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.334 -0.853 . . . . 0.0 110.508 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -149.33 39.26 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.38 -0.825 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 p -62.75 -31.31 72.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 0.0 110.238 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 t -52.79 -26.22 13.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.397 -0.814 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.46 -52.96 21.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 9' ' ' ARG . 35.9 m -67.12 -25.19 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.316 -0.865 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -67.75 -44.97 76.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.344 -0.848 . . . . 0.0 109.904 179.747 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.69 -41.96 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -0.804 . . . . 0.0 109.847 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.8 71.86 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.343 -0.848 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -29.8 61.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.395 -0.816 . . . . 0.0 109.723 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.25 -31.99 70.9 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -53.8 -29.62 41.3 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.405 -0.809 . . . . 0.0 110.54 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 2.5 p90 -39.51 -31.55 0.1 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.437 -0.789 . . . . 0.0 110.759 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 28.0 tp -133.99 42.37 2.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 110.133 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -53.81 -47.13 97.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.751 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.7 Cg_endo -86.9 82.79 1.17 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.639 1.336 . . . . 0.0 109.234 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.21 -6.67 8.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.793 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -28.09 1.67 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.763 -0.586 . . . . 0.0 110.775 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.88 -32.62 67.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.739 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.322 0.582 . . . . 0.0 109.921 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.58 69.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.457 -0.777 . . . . 0.0 110.011 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.1 p -74.44 -35.8 63.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.485 -0.76 . . . . 0.0 110.032 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.78 -47.71 83.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.433 -0.792 . . . . 0.0 109.979 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -67.75 -36.83 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.46 -0.775 . . . . 0.0 110.007 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.73 -47.31 54.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.124 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.22 -40.87 91.69 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.422 -0.799 . . . . 0.0 110.21 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -46.73 88.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.397 -0.815 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.14 70.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -71.7 -38.55 70.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -0.881 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -72.68 -34.11 66.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -73.3 -42.18 62.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -73.94 -38.86 64.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.275 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.98 59.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -62.18 -35.04 77.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.271 -0.893 . . . . 0.0 110.028 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -68.44 -39.08 81.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.43 -0.794 . . . . 0.0 110.225 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 p -65.64 -37.91 87.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.346 -0.846 . . . . 0.0 110.079 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.41 -53.0 61.33 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 110.178 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -60.95 -29.87 69.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.342 -0.849 . . . . 0.0 110.155 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -58.38 6.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.345 -0.847 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 m -57.14 -27.75 62.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.369 -0.832 . . . . 0.0 109.571 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.3 -162.14 0.25 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.502 -0.749 . . . . 0.0 110.325 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -79.52 -20.04 69.89 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.824 -1.311 . . . . 0.0 109.824 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 4.3 t 71.18 -12.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.59 -0.947 . . . . 0.0 111.309 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 45' ' ' VAL . 43.4 p 45.47 29.39 0.6 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.203 -0.935 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.4 mt -143.15 -60.92 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.168 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -79.65 -22.44 43.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.381 -0.825 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -58.22 -30.41 66.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -39.78 86.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.9 -53.94 22.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.63 -34.39 75.58 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.11 63.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.43 -0.794 . . . . 0.0 110.051 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -53.61 -38.07 63.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.0 110.23 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -32.89 66.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.813 . . . . 0.0 109.98 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 m -75.98 -42.17 49.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.3 128.21 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.866 . . . . 0.0 110.208 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.41 37.82 0.08 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 52.53 87.08 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -1.087 . . . . 0.0 110.488 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.15 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.92 -27.7 14.08 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.713 1.375 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.0 ttp -69.11 -29.43 67.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.34 -0.85 . . . . 0.0 110.239 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.66 28.17 8.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.352 -0.843 . . . . 0.0 110.295 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -62.21 -31.5 72.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.37 -0.831 . . . . 0.0 110.254 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -52.85 -26.43 14.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.463 -0.773 . . . . 0.0 110.247 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.29 -51.88 47.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.94 -39.89 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.346 -0.846 . . . . 0.0 110.35 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.13 59.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.13 -48.3 71.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -60.52 -36.97 79.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.359 -0.838 . . . . 0.0 110.212 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -67.29 -31.93 72.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.382 -0.823 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -32.38 45.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.458 -0.776 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -29.66 67.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.349 -0.844 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -40.2 -30.08 0.09 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.493 -0.754 . . . . 0.0 110.809 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 29.5 tp -148.08 43.18 1.05 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.49 -0.756 . . . . 0.0 109.768 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -54.7 -48.51 95.21 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.381 -0.824 . . . . 0.0 110.018 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.1 Cg_endo -92.48 92.66 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 123.475 1.25 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -86.39 -8.85 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.59 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -48.41 -32.58 7.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.748 -0.595 . . . . 0.0 111.037 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.47 -37.49 56.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.19 -0.944 . . . . 0.0 110.276 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.45 -38.33 55.61 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.172 0.51 . . . . 0.0 110.27 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.27 -42.19 93.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.197 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -43.32 74.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.367 -0.833 . . . . 0.0 110.097 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.55 -41.11 66.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 110.036 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 m -61.68 -37.73 85.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -68.13 -47.22 68.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 0.0 109.996 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -71.85 -34.95 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.344 -0.847 . . . . 0.0 110.098 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -61.17 -51.32 69.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.875 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.67 96.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.1 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -38.27 73.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.342 -0.849 . . . . 0.0 110.079 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -73.7 -37.35 65.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.111 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -65.26 -35.29 80.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.83 -37.01 64.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 110.171 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.52 -51.15 59.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.86 78.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.414 -0.804 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.6 -40.81 63.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 m -61.5 -49.07 78.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -37.71 87.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -69.72 -41.33 75.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.035 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -58.27 7.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.45 -0.781 . . . . 0.0 110.001 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.6 p -56.34 -27.96 57.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.518 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.14 -163.33 0.13 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.691 -0.631 . . . . 0.0 110.457 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -81.35 -21.64 62.05 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 9.8 t 70.67 -12.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.613 -0.934 . . . . 0.0 111.364 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 m 54.12 26.7 6.83 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.853 -1.154 . . . . 0.0 110.405 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 mp -132.37 -45.58 0.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.362 -0.837 . . . . 0.0 110.124 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.6 m -81.41 -30.95 33.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.373 -0.829 . . . . 0.0 110.12 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -39.76 65.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 110.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -41.29 83.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.04 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.45 -36.3 82.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.398 -0.814 . . . . 0.0 110.059 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.53 -40.06 85.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.113 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.27 96.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.827 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.75 -30.77 68.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.787 . . . . 0.0 110.196 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -46.83 66.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.793 . . . . 0.0 110.185 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 m -66.34 -34.0 77.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.396 -0.815 . . . . 0.0 110.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mm -109.84 48.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.2 37.19 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -167.82 52.03 0.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -1.051 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.504 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.09 93.53 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.747 1.393 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 mtt 52.18 75.14 0.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.26 -0.9 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -113.66 27.46 9.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 0.0 110.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -72.31 -31.81 66.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.376 -0.828 . . . . 0.0 110.058 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -55.78 -25.68 42.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 110.143 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.35 -52.94 9.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.339 -0.85 . . . . 0.0 110.551 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.11 -25.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.271 -0.893 . . . . 0.0 110.346 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -74.58 -48.41 26.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.282 -0.886 . . . . 0.0 110.167 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.07 -47.09 66.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -42.92 86.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -66.81 -31.98 72.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.49 46.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -0.836 . . . . 0.0 110.498 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -29.72 68.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.437 -0.79 . . . . 0.0 110.873 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.3 p90 -43.51 -26.96 0.24 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.814 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -160.35 37.01 0.17 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.439 -0.788 . . . . 0.0 109.964 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.556 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.6 m -52.17 -41.95 83.53 Favored Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.493 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.6 Cg_endo -91.87 88.26 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.241 1.127 . . . . 0.0 109.589 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -78.33 -7.34 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.7 ptt180 -47.56 -29.69 3.03 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.668 -0.645 . . . . 0.0 110.692 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 15.2 t70 -76.69 -31.57 57.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.305 -0.872 . . . . 0.0 109.965 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -34.13 58.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.261 0.553 . . . . 0.0 110.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.29 -36.29 46.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.177 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 t -74.55 -41.52 60.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.297 -0.877 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.96 -36.98 67.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.839 . . . . 0.0 110.144 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -74.5 -39.13 62.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -66.71 -36.27 82.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.333 -0.855 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -73.11 -46.95 48.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.847 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -69.63 -43.34 72.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.05 77.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.853 . . . . 0.0 110.145 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -42.07 61.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.419 -0.801 . . . . 0.0 110.197 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -61.7 -41.46 97.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.61 71.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 110.189 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.71 64.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 0.0 110.21 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.72 82.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.41 -0.806 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 mtm-85 -73.27 -41.29 63.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -70.62 -42.76 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -60.87 -47.1 87.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.334 -0.854 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -71.27 -32.69 68.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.32 -0.862 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -72.77 -38.17 67.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 110.421 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -73.75 -27.45 61.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.366 -0.833 . . . . 0.0 110.386 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.4 m -53.16 -44.69 68.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.321 -0.862 . . . . 0.0 109.596 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.4 -159.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.436 -0.79 . . . . 0.0 110.014 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -87.89 -11.47 67.79 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 7.1 t 71.09 -13.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.564 -0.962 . . . . 0.0 111.431 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m 52.61 25.95 4.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.929 -1.107 . . . . 0.0 110.505 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.54 -54.52 2.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -81.98 -28.95 32.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.212 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.12 -35.58 80.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.269 -0.894 . . . . 0.0 110.192 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -40.23 71.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.401 -0.812 . . . . 0.0 110.154 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.79 -47.41 66.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.866 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.13 -34.35 76.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.457 -0.777 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.44 73.7 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.8 -31.64 68.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -72.84 -33.73 66.35 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -72.9 -45.0 60.58 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -85.53 176.92 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.341 -0.849 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.81 179.78 6.04 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.47 -41.31 3.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -1.074 . . . . 0.0 110.198 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.168 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.34 63.54 3.58 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 O-C-N 123.802 1.422 . . . . 0.0 110.391 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.4 ttp -116.14 142.57 46.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t 52.49 49.67 19.92 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.384 -0.822 . . . . 0.0 110.442 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -61.0 -31.64 71.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.376 -0.828 . . . . 0.0 110.276 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -52.85 -26.3 14.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.333 -0.854 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -73.16 -52.5 13.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 9' ' ' ARG . 34.5 m -69.79 -25.48 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' N ' HG23 ' A' ' 8' ' ' VAL . 1.3 tpp180 -74.4 -48.12 29.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.187 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.84 -43.04 94.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.355 -0.841 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -61.25 -41.12 96.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.394 -0.816 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -68.48 -30.29 69.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.424 -0.798 . . . . 0.0 110.184 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -32.42 46.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -59.4 -29.45 67.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.357 -0.839 . . . . 0.0 110.755 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.8 p90 -41.32 -28.88 0.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.458 -0.776 . . . . 0.0 110.424 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 1.8 tt -159.8 39.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.591 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.2 m -54.57 -40.28 81.89 Favored Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.371 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.9 Cg_endo -92.82 94.75 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.398 1.21 . . . . 0.0 109.411 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.5 t -72.02 -8.72 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.387 -0.821 . . . . 0.0 110.873 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -47.48 -29.54 2.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.671 -0.643 . . . . 0.0 110.496 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.7 t0 -76.5 -32.6 58.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 109.736 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.55 -29.99 67.69 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.329 0.585 . . . . 0.0 109.775 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.88 -46.81 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.478 -0.764 . . . . 0.0 110.085 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 t -66.96 -44.25 81.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.047 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.61 -43.88 88.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.82 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.2 p -66.48 -32.08 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.836 . . . . 0.0 110.064 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.94 -45.24 90.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -71.94 -41.41 67.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -69.85 -47.52 62.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.118 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.28 85.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.333 -0.854 . . . . 0.0 110.143 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -64.69 -28.62 69.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.422 -0.799 . . . . 0.0 110.059 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 t -73.4 -34.52 65.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.332 -0.855 . . . . 0.0 110.071 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -36.8 65.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.331 -0.856 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.41 -37.7 65.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.415 -0.803 . . . . 0.0 110.123 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.96 87.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -65.6 -50.18 66.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -0.809 . . . . 0.0 110.189 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.63 -37.58 85.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.42 -0.8 . . . . 0.0 110.15 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -66.13 -49.2 68.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.313 -0.867 . . . . 0.0 110.146 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.75 -34.13 77.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -32.63 71.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.163 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -58.39 3.81 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.39 -0.819 . . . . 0.0 110.048 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 p -59.69 -27.77 66.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.81 . . . . 0.0 109.519 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.58 -160.13 0.29 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.548 -0.72 . . . . 0.0 110.314 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.512 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -83.96 -44.08 6.89 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 16.4 t 68.43 -10.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.581 -0.952 . . . . 0.0 111.436 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 44' ' ' GLY . 3.2 m 59.36 34.32 22.77 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.95 -1.093 . . . . 0.0 110.241 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mp -133.68 -63.68 0.74 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.035 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.4 p -62.76 -23.05 67.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.328 -0.857 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.75 -30.39 65.56 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.217 -0.927 . . . . 0.0 110.237 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.38 -36.75 66.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -75.4 -31.87 60.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.95 -48.05 26.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.95 89.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.818 . . . . 0.0 110.227 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.48 -31.86 62.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.311 -0.868 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -31.79 65.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -71.31 -31.75 67.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.391 -0.818 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.9 mm 52.66 94.28 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.24 67.21 1.2 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -19.18 60.79 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -1.117 . . . . 0.0 110.472 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.293 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.09 169.61 21.82 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.836 1.44 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -163.57 129.62 3.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.84 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.0 p 47.52 72.6 0.24 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.605 -0.684 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -57.66 -31.7 66.58 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.307 -0.87 . . . . 0.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m -53.01 -26.43 15.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.56 -42.49 58.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.76 -35.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 109.896 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -69.64 -47.91 61.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.815 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.67 -41.87 87.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.346 -0.847 . . . . 0.0 110.017 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.72 71.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.855 . . . . 0.0 109.904 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -67.71 -34.97 77.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.447 -0.783 . . . . 0.0 110.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -32.38 59.51 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.439 -0.788 . . . . 0.0 110.174 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.33 -29.08 68.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.457 -0.777 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -38.83 -30.19 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.549 -0.719 . . . . 0.0 111.384 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' SER . 1.8 tt -137.86 38.58 2.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 110.651 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.558 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.9 -45.4 98.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.907 . . . . 0.0 109.87 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.3 Cg_endo -90.67 95.33 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.63 1.331 . . . . 0.0 109.073 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.18 -8.72 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.063 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 7.0 ptp180 -47.38 -28.64 2.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.571 -0.705 . . . . 0.0 110.469 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.5 t0 -76.15 -32.24 58.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.723 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.48 -31.67 68.88 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.39 0.614 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -46.33 51.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -62.39 -42.36 99.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 109.998 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -44.63 73.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.449 -0.782 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.4 t -62.94 -36.95 85.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.444 -0.785 . . . . 0.0 110.038 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -67.8 -33.97 75.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.322 -0.862 . . . . 0.0 110.021 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -65.24 -44.8 87.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.53 -42.08 95.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.797 . . . . 0.0 110.194 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.27 85.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.149 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -35.08 64.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -73.56 -42.26 61.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.328 -0.857 . . . . 0.0 110.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -39.19 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 110.147 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.92 -31.52 66.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.867 . . . . 0.0 110.154 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.05 87.76 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.133 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -73.24 -34.95 66.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.306 -0.871 . . . . 0.0 110.134 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -47.56 78.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 110.082 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -49.01 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.311 -0.868 . . . . 0.0 110.174 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -65.13 -32.77 74.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.445 -0.784 . . . . 0.0 110.101 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -70.5 -30.11 66.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.378 -0.826 . . . . 0.0 110.271 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -58.86 3.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.418 -0.801 . . . . 0.0 109.613 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 54.41 19.41 2.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.596 -0.69 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.12 65.75 2.56 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.81 -10.05 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.314 -1.11 . . . . 0.0 110.462 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m 58.52 22.12 9.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.202 -0.936 . . . . 0.0 110.008 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.82 -43.59 0.21 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.516 -0.74 . . . . 0.0 109.872 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 m -99.2 -35.97 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.228 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -59.61 -39.19 83.43 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.28 -0.887 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.49 -41.55 69.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.56 -45.28 83.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.426 -0.796 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.26 -42.15 98.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.381 -0.824 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.19 90.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.6 -38.13 62.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -64.7 -31.87 73.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.7 m -62.15 -32.61 73.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.212 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.41 -41.58 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.303 -0.873 . . . . 0.0 110.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.58 -166.82 40.01 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 32.73 5.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.444 -1.033 . . . . 0.0 110.265 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.176 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.13 149.1 45.58 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.857 1.451 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptp -119.27 -163.04 0.95 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 t 53.64 49.35 19.57 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.348 -0.845 . . . . 0.0 110.394 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.2 m -67.12 -31.68 72.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.445 -0.784 . . . . 0.0 110.088 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.92 -26.25 14.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.825 . . . . 0.0 110.288 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.4 -52.7 12.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.78 -30.03 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.355 -0.841 . . . . 0.0 110.086 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -73.6 -45.64 51.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.86 -52.89 63.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.7 -31.37 71.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.464 -0.772 . . . . 0.0 110.316 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 52.7 ttm-85 -66.46 -33.23 75.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.348 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -79.08 -35.59 42.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -29.46 67.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.854 . . . . 0.0 110.766 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -29.28 0.07 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.475 -0.765 . . . . 0.0 111.215 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -144.12 39.04 1.32 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.927 . . . . 0.0 110.294 179.304 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.91 -47.87 93.66 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.009 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.0 Cg_endo -92.09 94.08 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.54 1.284 . . . . 0.0 109.296 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.58 -8.6 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 110.828 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptt180 -47.5 -28.23 2.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.702 -0.623 . . . . 0.0 110.657 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.8 t70 -76.26 -29.45 57.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 109.961 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.15 -31.91 58.81 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.343 0.592 . . . . 0.0 109.697 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.12 -33.79 50.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.476 -0.765 . . . . 0.0 110.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -70.17 -46.51 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.2 -41.76 89.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.432 -0.793 . . . . 0.0 110.071 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -63.4 -41.45 98.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.011 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -71.62 -38.05 70.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.407 -0.808 . . . . 0.0 110.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -42.52 91.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.804 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -41.62 90.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.062 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.29 -41.92 72.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 0.0 110.061 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -39.36 94.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.445 -0.784 . . . . 0.0 110.061 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -68.75 -36.13 77.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.201 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -46.45 87.69 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.61 91.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.64 76.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.098 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -67.8 -44.02 78.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.98 -37.57 87.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -62.01 -47.16 86.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.814 . . . . 0.0 110.086 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -62.45 -36.69 83.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -47.71 38.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 110.124 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -58.04 6.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.284 -0.885 . . . . 0.0 110.162 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 m -55.76 -27.92 53.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.327 -0.858 . . . . 0.0 109.714 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 64.68 11.03 6.44 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.622 -0.674 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.505 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.36 -44.2 2.93 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 11.4 t 69.39 -10.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.313 0 O-C-N 121.596 -0.943 . . . . 0.0 111.263 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.9 m 58.24 29.37 17.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.008 -1.058 . . . . 0.0 110.287 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.9 -41.35 1.64 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.033 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -71.61 -43.25 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.075 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.99 -35.97 69.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.368 -0.832 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.85 -33.81 76.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.291 -0.88 . . . . 0.0 110.147 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.94 -38.82 89.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.413 -0.804 . . . . 0.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.15 -34.94 77.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.33 92.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.8 -32.98 74.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.139 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -69.79 -33.32 72.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.455 -0.778 . . . . 0.0 110.225 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m -60.2 -31.11 69.84 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.367 -0.833 . . . . 0.0 110.19 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 tp -130.99 62.8 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.13 -175.81 14.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -110.13 28.01 9.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.391 -1.064 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.462 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.19 148.25 43.83 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.807 1.425 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.405 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -80.12 -4.4 52.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' MET . 1.9 t 66.93 -63.7 0.26 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.523 -0.735 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.6 m -56.25 -32.64 64.68 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.19 -0.944 . . . . 0.0 110.678 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -53.35 -26.3 18.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.273 -0.892 . . . . 0.0 110.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.67 -52.99 12.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.49 -25.57 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -66.7 -51.15 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.34 -42.78 99.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.321 -0.862 . . . . 0.0 109.995 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -63.07 -33.67 75.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 ttm180 -70.37 -29.87 66.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.372 -0.83 . . . . 0.0 110.088 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -75.0 -32.29 61.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.56 67.07 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.364 -0.835 . . . . 0.0 110.506 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.07 -28.1 0.16 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.432 -0.793 . . . . 0.0 110.906 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.9 tp -142.47 39.02 1.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 0.0 110.088 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.65 -46.9 98.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.271 -0.893 . . . . 0.0 109.707 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -91.54 93.98 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.673 1.354 . . . . 0.0 109.153 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.15 -7.56 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 0.0 110.848 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 3.9 ptm180 -47.29 -28.25 1.9 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.685 -0.635 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 t70 -70.34 -39.64 74.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.437 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.498 0.666 . . . . 0.0 109.357 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.04 -30.85 69.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -62.56 -50.87 69.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 0.0 109.917 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -48.25 81.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 0.0 109.944 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -63.73 -35.43 80.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 109.724 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -70.09 -38.15 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 0.0 109.947 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.06 85.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.335 -0.853 . . . . 0.0 110.018 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.86 -43.76 98.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 0.0 110.024 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.342 -0.848 . . . . 0.0 110.191 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.321 -0.862 . . . . 0.0 110.127 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.3 p -60.4 -46.19 90.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -61.11 -47.71 85.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.134 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -32.6 73.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.36 -0.838 . . . . 0.0 110.021 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.99 95.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.407 -0.808 . . . . 0.0 109.994 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -62.0 -53.82 50.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.037 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -58.76 -36.14 73.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.793 . . . . 0.0 110.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -68.4 -40.45 81.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.928 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -36.06 74.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.417 -0.802 . . . . 0.0 110.008 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -50.51 48.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 0.0 109.999 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -55.01 -27.32 43.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.451 -0.78 . . . . 0.0 110.461 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -53.19 -33.28 52.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.399 -0.813 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 176.63 -30.26 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.448 -0.782 . . . . 0.0 110.407 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.48 -26.93 7.7 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 47' ' ' LEU . 17.5 m -55.07 129.79 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.214 -1.168 . . . . 0.0 109.952 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -61.94 71.38 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.405 0.621 . . . . 0.0 110.209 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -154.73 -44.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -106.31 -33.76 7.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.511 -0.743 . . . . 0.0 110.067 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -57.25 -30.52 64.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.337 -0.852 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.92 -30.89 64.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.397 -0.814 . . . . 0.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.22 -53.65 54.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 0.0 110.121 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.81 -34.4 77.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.423 -0.798 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.3 90.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -33.63 69.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.0 110.012 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -72.67 -31.64 65.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.68 -46.11 87.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.341 -0.849 . . . . 0.0 110.248 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.45 HG22 HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -84.65 132.03 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.54 -85.51 0.1 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.84 33.56 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.333 -1.099 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.42 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.02 80.18 1.88 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.862 1.454 . . . . 0.0 110.432 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.3 ttp -146.31 52.0 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -147.25 78.96 1.49 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -71.05 -31.72 68.23 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.293 -0.88 . . . . 0.0 110.134 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -52.85 -26.29 14.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.0 110.362 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -62.69 -52.76 62.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.477 -0.764 . . . . 0.0 110.327 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 9' ' ' ARG . 7.1 p -70.32 -25.17 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.347 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -72.61 -50.88 22.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 110.194 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.43 -44.34 62.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -35.34 76.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.347 -0.846 . . . . 0.0 110.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -74.82 -30.32 61.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.109 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.0 72.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.854 . . . . 0.0 110.199 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -29.33 67.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.4 -0.812 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.1 p90 -41.66 -27.94 0.12 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.521 -0.737 . . . . 0.0 110.919 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 26.1 tp -139.39 39.48 2.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.3 -0.875 . . . . 0.0 110.318 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.552 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.4 -45.7 98.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.617 179.245 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.3 Cg_endo -89.56 91.5 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.661 1.348 . . . . 0.0 108.867 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.99 -7.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 111.022 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 14.5 ptt180 -47.24 -29.02 2.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.4 t70 -76.46 -32.39 58.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.907 . . . . 0.0 109.711 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -31.2 68.37 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.381 0.61 . . . . 0.0 109.675 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.19 -45.12 50.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.419 -0.8 . . . . 0.0 109.91 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.93 74.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.343 -0.848 . . . . 0.0 109.998 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.35 -48.12 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.003 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -70.86 -36.45 72.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 110.033 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.26 -36.32 74.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 0.0 110.091 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -69.39 -40.73 77.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.85 . . . . 0.0 110.096 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.95 -43.77 98.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.079 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.88 70.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.018 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.366 -0.834 . . . . 0.0 110.114 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -47.85 82.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.858 . . . . 0.0 110.099 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -43.01 99.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.324 -0.86 . . . . 0.0 109.993 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -62.89 -41.84 99.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.505 -0.747 . . . . 0.0 110.084 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.88 -36.14 77.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.409 -0.807 . . . . 0.0 110.144 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -67.14 -38.23 85.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.331 -0.856 . . . . 0.0 110.116 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -32.12 64.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.827 . . . . 0.0 110.017 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.9 p -71.28 -39.52 71.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.807 . . . . 0.0 110.152 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -69.16 -37.24 78.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 110.078 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.21 75.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 0.0 110.055 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -58.25 8.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 110.051 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' GLY . 7.1 p -58.17 -27.77 64.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 0.0 109.7 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.74 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.619 -0.675 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -159.83 -65.27 0.01 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 10.0 t 68.7 -11.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.659 -0.907 . . . . 0.0 111.413 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' VAL . 17.8 p 47.99 27.73 1.27 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.173 -0.954 . . . . 0.0 110.75 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.42 -52.66 0.49 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.378 -0.826 . . . . 0.0 110.121 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -71.1 -24.81 62.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.81 -33.69 74.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.33 -0.856 . . . . 0.0 110.27 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.35 -39.56 71.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.396 -0.815 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.79 70.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.852 . . . . 0.0 110.203 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.68 -50.49 72.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.89 88.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.375 -0.828 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.67 -31.98 72.97 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.176 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -71.01 -50.59 32.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.85 . . . . 0.0 110.188 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p -73.17 -38.12 66.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.45 -0.781 . . . . 0.0 110.152 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.6 tt -166.06 114.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.388 -0.82 . . . . 0.0 110.169 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -134.96 -142.16 4.54 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -143.82 40.71 1.41 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.372 -1.075 . . . . 0.0 110.201 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.228 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.88 154.64 53.51 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.778 1.409 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 mtt -89.9 90.51 8.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.1 t -132.92 49.15 2.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.445 -0.784 . . . . 0.0 110.252 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.7 m -68.15 -31.69 71.43 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.328 -0.858 . . . . 0.0 110.179 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -53.53 -26.1 19.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -0.877 . . . . 0.0 110.207 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.36 -52.83 14.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.443 -0.786 . . . . 0.0 110.33 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 9' ' ' ARG . 35.6 m -65.57 -25.3 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 110.342 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' N ' HG23 ' A' ' 8' ' ' VAL . 20.5 ttt85 -73.68 -39.21 64.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 0.0 110.039 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -44.68 67.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.061 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -61.5 -43.26 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.379 -0.826 . . . . 0.0 110.217 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -29.74 69.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -32.09 51.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.448 -0.782 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.14 62.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.425 -0.797 . . . . 0.0 110.693 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.7 p90 -43.4 -28.34 0.34 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.426 -0.796 . . . . 0.0 110.499 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -144.44 38.85 1.27 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.441 -0.787 . . . . 0.0 109.804 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -51.43 -48.19 86.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.208 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.6 Cg_endo -89.94 89.1 0.35 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.658 1.346 . . . . 0.0 109.257 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.2 t -73.91 -8.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.784 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.7 ptt85 -47.54 -28.85 2.45 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.738 -0.601 . . . . 0.0 110.626 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -76.57 -29.3 56.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.333 -0.855 . . . . 0.0 109.903 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.37 -31.24 60.42 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.285 0.564 . . . . 0.0 109.869 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -40.95 36.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.465 -0.772 . . . . 0.0 110.097 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -44.71 71.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.359 -0.838 . . . . 0.0 110.186 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -39.3 88.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -71.71 -32.52 67.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.061 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -71.54 -39.38 70.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.421 -0.799 . . . . 0.0 110.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -71.99 -35.22 69.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.84 -43.25 72.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.388 -0.82 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.63 96.36 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 0.0 110.086 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.84 -32.44 63.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.19 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 t -71.42 -41.04 70.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.42 -0.8 . . . . 0.0 110.151 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -34.2 74.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.44 -0.788 . . . . 0.0 110.134 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -73.85 -38.71 64.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.072 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.18 -46.65 64.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.321 -0.862 . . . . 0.0 110.094 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -62.92 -38.52 91.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.65 -41.46 96.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -61.91 -38.78 89.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.14 -40.63 96.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.383 -0.823 . . . . 0.0 110.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.59 -39.85 64.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.334 -0.854 . . . . 0.0 110.234 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -62.83 -27.2 69.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 110.352 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.1 m -53.11 -40.11 63.92 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 109.817 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 177.59 -39.12 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.494 -0.754 . . . . 0.0 110.105 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 108.47 -33.43 6.23 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 3.8 t 69.57 -10.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 121.698 -0.884 . . . . 0.0 111.391 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' VAL . 9.0 t 36.29 47.83 0.52 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.418 -0.801 . . . . 0.0 111.112 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -154.81 -40.67 0.09 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.706 -0.621 . . . . 0.0 109.847 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.424 ' N ' ' CD2' ' A' ' 47' ' ' LEU . 18.5 m -80.77 -47.59 13.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.276 -0.89 . . . . 0.0 110.19 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -30.54 61.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.0 -44.7 72.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.435 -0.791 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.5 -45.18 95.31 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.211 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -42.09 96.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.335 -0.853 . . . . 0.0 110.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -32.53 69.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.8 -41.03 92.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.364 -0.835 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -72.79 -36.99 67.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.883 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -69.66 -33.35 72.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.357 -0.84 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt 52.56 92.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.394 -0.816 . . . . 0.0 110.37 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.36 172.68 15.75 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.15 43.28 0.14 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.304 -1.115 . . . . 0.0 110.214 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.245 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.94 169.82 21.23 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 O-C-N 123.75 1.395 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 mtt -102.69 -174.9 2.67 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.362 -0.836 . . . . 0.0 110.235 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.8 m -135.01 22.76 3.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -72.24 -31.88 66.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 110.159 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.9 p -53.08 -26.3 15.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.361 -0.837 . . . . 0.0 110.279 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.19 -52.67 62.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.434 -0.791 . . . . 0.0 110.216 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG21 ' N ' ' A' ' 9' ' ' ARG . 34.7 m -72.85 -25.46 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.335 -0.853 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' N ' HG21 ' A' ' 8' ' ' VAL . 2.5 mtt180 -74.59 -39.75 62.03 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.257 -0.902 . . . . 0.0 110.097 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.58 -38.01 65.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.205 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -42.77 94.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -0.814 . . . . 0.0 110.039 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -29.71 60.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.167 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -32.13 72.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -30.02 34.68 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.325 -0.859 . . . . 0.0 110.549 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -41.64 -30.7 0.24 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.405 -0.81 . . . . 0.0 110.586 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 29.0 tp -141.33 40.11 1.75 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -52.96 -46.52 97.37 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.959 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.9 Cg_endo -89.76 88.42 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.601 1.316 . . . . 0.0 109.275 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.03 -6.84 9.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.728 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.33 -28.67 2.11 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.663 -0.648 . . . . 0.0 110.599 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 t0 -76.41 -31.53 57.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.803 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.89 -30.78 64.22 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.354 0.597 . . . . 0.0 109.804 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.8 -44.17 50.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -62.34 -39.13 92.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.052 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.36 -39.84 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.806 . . . . 0.0 110.004 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 m -71.36 -34.61 70.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.361 -0.837 . . . . 0.0 110.128 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -70.13 -44.19 69.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 110.033 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -43.17 83.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.299 -0.876 . . . . 0.0 110.093 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -62.59 -43.65 98.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.41 -0.806 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.7 70.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.62 -47.62 82.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.443 -0.786 . . . . 0.0 110.093 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -72.73 -36.44 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.089 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.18 -38.86 89.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.375 -0.828 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.54 -42.96 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -65.58 -43.23 90.39 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -0.839 . . . . 0.0 110.061 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -34.63 74.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.021 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 m -65.81 -45.47 82.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 110.138 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -33.35 75.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.841 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -52.26 23.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.149 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -58.26 6.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -62.99 -27.84 69.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 109.448 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 63.63 14.43 8.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.578 -0.701 . . . . 0.0 110.904 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.494 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.99 -43.47 2.84 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 6.4 t 71.57 -11.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 O-C-N 121.534 -0.98 . . . . 0.0 111.203 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 m 55.95 36.72 27.86 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.964 -1.085 . . . . 0.0 110.416 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mp -136.38 -58.5 0.74 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.149 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -98.83 -27.48 13.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.193 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.45 -30.55 70.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.304 -0.872 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.09 -39.6 82.69 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.412 -0.805 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -64.2 -41.44 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.216 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -68.87 -42.91 76.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.33 86.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.08 -33.83 76.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.449 -0.782 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -31.87 65.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.205 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.4 m -65.72 -41.72 91.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.214 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.2 -62.82 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.354 -0.841 . . . . 0.0 110.139 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.73 114.33 1.1 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.53 174.9 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.387 -1.067 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.489 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 4' ' ' SER . 46.9 Cg_endo -73.69 -36.61 3.6 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 O-C-N 123.768 1.404 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mmt 54.83 -87.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 0.0 110.584 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' PRO . 1.2 t 52.62 48.7 21.98 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.102 -0.999 . . . . 0.0 110.509 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -60.41 -31.63 70.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.393 -0.817 . . . . 0.0 110.217 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -53.81 -26.62 24.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.391 -0.818 . . . . 0.0 110.202 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -50.33 13.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.29 -31.77 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.329 -0.857 . . . . 0.0 110.279 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -73.03 -51.08 19.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.86 . . . . 0.0 110.187 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -37.65 84.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.833 . . . . 0.0 110.096 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -69.6 -30.41 68.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -31.12 66.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.194 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -78.61 -32.33 47.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.319 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -29.67 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.378 -0.826 . . . . 0.0 110.625 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -40.56 -29.69 0.1 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.486 -0.759 . . . . 0.0 111.144 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.63 38.43 1.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 0.0 110.168 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.12 -47.17 96.83 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.435 -0.791 . . . . 0.0 110.18 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -92.14 94.04 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.552 1.29 . . . . 0.0 109.396 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.3 t -72.66 -8.74 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.701 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.0 ptm180 -47.96 -28.42 2.73 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.692 -0.63 . . . . 0.0 110.51 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.2 t70 -76.23 -29.93 57.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.847 . . . . 0.0 109.836 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -74.3 -32.06 62.73 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.354 0.597 . . . . 0.0 109.69 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -74.51 -39.04 62.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.517 -0.74 . . . . 0.0 109.964 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -43.93 87.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.385 -0.822 . . . . 0.0 110.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.99 -44.84 95.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.387 -0.821 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -66.28 -41.24 90.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 110.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.72 -40.92 97.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.395 -0.816 . . . . 0.0 110.099 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -32.05 73.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 110.167 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -44.17 81.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -0.851 . . . . 0.0 110.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.45 76.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -62.44 -37.82 87.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.16 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -71.68 -33.57 68.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -45.01 95.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.397 -0.815 . . . . 0.0 110.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -73.49 -37.05 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.793 . . . . 0.0 110.144 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -45.49 66.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.29 -0.881 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.44 -34.89 78.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.51 -50.43 67.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.168 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -58.29 -38.75 77.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.381 -0.824 . . . . 0.0 110.195 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.55 -40.56 97.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -73.67 -43.71 58.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.397 -0.815 . . . . 0.0 110.204 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -60.01 -27.23 66.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.0 110.358 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -53.08 -35.01 59.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.323 -0.86 . . . . 0.0 109.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.84 176.92 0.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.476 -0.765 . . . . 0.0 110.1 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.35 37.01 93.89 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.58 -47.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -1.092 . . . . 0.0 110.378 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -52.35 -20.61 2.87 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.447 -0.783 . . . . 0.0 110.636 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.66 -11.42 12.97 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.691 -0.63 . . . . 0.0 110.723 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 m -124.46 -45.52 1.94 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.094 -1.003 . . . . 0.0 110.364 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.01 -30.77 66.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 110.213 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -31.01 71.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 110.044 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -61.06 -51.93 67.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 110.095 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.53 -29.4 70.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.425 -0.797 . . . . 0.0 110.024 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.96 64.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.35 -0.844 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.82 -31.5 72.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.148 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -72.8 -35.57 67.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -0.834 . . . . 0.0 110.155 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -75.57 -33.78 60.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.316 -0.865 . . . . 0.0 110.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 tt -99.69 37.6 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 0.0 110.152 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.6 -31.15 5.3 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.08 158.31 29.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -1.119 . . . . 0.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.183 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.92 64.6 4.07 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.825 1.434 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 ttt 52.92 73.65 0.34 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.371 -0.831 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 t -97.06 35.53 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 110.145 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -72.25 -31.59 65.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -52.78 -26.56 14.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.372 -0.83 . . . . 0.0 110.207 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -75.23 -48.89 21.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.368 -0.832 . . . . 0.0 110.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.29 -28.26 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -50.96 51.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.401 -0.812 . . . . 0.0 110.144 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -44.6 96.99 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.315 -0.865 . . . . 0.0 110.076 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -30.33 68.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 110.156 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.3 mmm180 -68.14 -30.3 69.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.897 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.86 -41.55 29.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.402 -0.811 . . . . 0.0 110.369 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.71 66.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -41.11 -28.99 0.1 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.58 -0.7 . . . . 0.0 110.853 -179.455 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 1.4 tp -141.46 40.2 1.73 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.321 -0.862 . . . . 0.0 110.243 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.547 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -51.52 -46.26 90.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.877 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.4 Cg_endo -88.29 89.11 0.49 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.62 1.326 . . . . 0.0 108.863 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.0 t -71.04 -8.39 11.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.007 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.2 ptm180 -47.35 -29.12 2.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.607 -0.683 . . . . 0.0 110.432 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.1 t70 -76.41 -32.91 58.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.95 -31.32 70.11 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.33 0.586 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.39 -43.7 48.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.557 -0.714 . . . . 0.0 109.963 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -67.68 -41.32 83.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 109.962 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.38 -47.71 80.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.432 -0.793 . . . . 0.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -63.24 -35.53 80.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 0.0 109.984 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -71.74 -35.78 70.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.804 . . . . 0.0 110.126 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -70.63 -39.63 73.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 110.047 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -37.67 87.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.388 -0.82 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.56 71.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.034 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -63.77 -44.14 94.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.381 -0.824 . . . . 0.0 110.023 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -40.55 97.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.84 . . . . 0.0 110.027 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.75 98.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.112 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -44.55 64.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.336 -0.853 . . . . 0.0 110.136 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.66 93.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -62.35 -49.03 77.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.205 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.66 -38.77 87.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.155 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.41 -0.806 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -62.57 -34.01 76.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -73.62 -35.27 65.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -73.92 -27.03 60.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -52.75 -30.45 32.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.281 -0.887 . . . . 0.0 109.919 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -175.41 -157.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 110.27 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -81.41 -35.12 24.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 11.0 t 69.32 -11.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.611 -0.935 . . . . 0.0 111.368 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 45' ' ' VAL . 16.8 p 48.76 27.25 1.49 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.197 -0.94 . . . . 0.0 110.642 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -116.0 -66.91 1.04 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.394 -0.816 . . . . 0.0 110.091 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -81.74 -13.44 57.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.427 -0.796 . . . . 0.0 110.433 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.87 -30.26 61.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.55 -31.01 44.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.39 -0.818 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.91 -42.01 67.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 110.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.65 -40.79 88.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.429 -0.795 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.66 96.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -67.45 -31.19 71.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.274 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.24 -35.78 76.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.383 -0.823 . . . . 0.0 110.17 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -61.89 -31.19 71.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.22 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mt 53.16 88.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.365 -0.834 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.75 -58.7 0.06 OUTLIER Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 151.67 51.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.388 -1.066 . . . . 0.0 110.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.454 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.17 133.89 20.25 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.79 1.416 . . . . 0.0 110.456 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.62 62.12 6.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 t -83.28 80.67 9.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.221 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.3 m -70.4 -31.65 68.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.128 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -53.56 -26.07 19.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 110.325 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.05 -52.17 66.5 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.361 -0.837 . . . . 0.0 110.44 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 9' ' ' ARG . 8.2 p -75.23 -26.01 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.464 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' N ' HG11 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -74.5 -50.84 16.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.262 -0.899 . . . . 0.0 110.021 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -63.01 -50.93 68.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.449 -0.782 . . . . 0.0 110.173 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -38.86 77.1 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 4.3 tpp180 -63.99 -32.48 74.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.308 -0.87 . . . . 0.0 110.124 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -32.54 47.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.72 -29.12 67.47 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.325 -0.859 . . . . 0.0 110.712 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -38.42 -30.77 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.561 -0.712 . . . . 0.0 110.822 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -149.29 46.55 0.98 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.38 -0.825 . . . . 0.0 109.724 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -51.85 -46.78 92.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.711 -0.618 . . . . 0.0 110.344 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -85.95 82.57 1.44 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.561 1.295 . . . . 0.0 109.285 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 46.8 t -79.67 -6.61 9.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.748 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -47.38 -29.09 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.751 -0.593 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -32.66 58.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 110.066 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.41 -30.96 57.66 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -35.28 55.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.423 -0.798 . . . . 0.0 110.176 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -39.54 67.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.348 -0.845 . . . . 0.0 110.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -72.14 -35.58 69.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 110.15 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -74.59 -38.65 62.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.398 -0.814 . . . . 0.0 110.17 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.17 -46.77 87.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -71.17 -31.87 68.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.359 -0.838 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -62.75 -41.57 99.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.92 68.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -0.836 . . . . 0.0 110.157 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -73.28 -41.87 63.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 0.0 110.184 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.8 m -63.63 -39.84 95.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.287 -0.883 . . . . 0.0 110.162 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -66.91 -43.9 82.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.379 -0.826 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.73 -42.56 61.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.0 110.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.99 85.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -38.06 66.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.363 -0.836 . . . . 0.0 110.201 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -73.27 -39.33 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.363 -0.836 . . . . 0.0 110.173 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -52.58 63.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.381 -0.824 . . . . 0.0 110.193 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.63 73.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.53 -43.19 60.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -58.48 4.62 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.454 -0.779 . . . . 0.0 110.117 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -65.08 -27.95 69.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 109.473 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.43 178.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.394 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.6 -31.43 50.24 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 t 57.65 -123.96 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -1.081 . . . . 0.0 109.568 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 t -94.67 27.66 2.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.935 -1.103 . . . . 0.0 108.688 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.52 -42.04 4.89 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.377 0.608 . . . . 0.0 109.74 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 m -104.26 -24.09 13.16 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.655 -0.653 . . . . 0.0 109.969 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.04 -36.55 59.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.452 -0.78 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.6 -40.33 94.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.384 -0.822 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.02 -42.92 99.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.393 -0.817 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.65 -38.35 73.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.166 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.48 69.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 0.0 110.206 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.75 -49.35 66.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.174 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.83 -54.55 40.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.3 p -61.0 -43.97 98.11 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -121.79 122.79 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.315 -0.866 . . . . 0.0 110.183 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.98 169.8 19.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -84.0 128.69 34.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.385 -1.068 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.477 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.243 0.544 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -52.84 -26.28 14.11 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.277 -0.889 . . . . 0.0 110.39 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.65 -52.77 10.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.368 -0.833 . . . . 0.0 110.352 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.27 -25.84 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.324 -0.86 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -68.64 -50.79 48.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.353 -0.842 . . . . 0.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.28 -44.09 84.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.325 -0.859 . . . . 0.0 110.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -33.59 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.142 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 7.8 ttt180 -75.07 -29.62 60.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.36 -0.837 . . . . 0.0 110.372 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -32.49 57.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.457 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.81 67.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.413 -0.804 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.12 -28.07 0.16 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.479 -0.763 . . . . 0.0 110.963 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -143.57 38.0 1.36 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.323 -0.86 . . . . 0.0 110.236 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.72 -48.46 90.78 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.909 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.5 Cg_endo -91.93 93.82 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.558 1.294 . . . . 0.0 109.377 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.733 HG22 HD21 ' A' ' 16' ' ' LEU . 61.7 t -70.98 -9.18 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 110.866 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.52 -29.92 3.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.682 -0.636 . . . . 0.0 110.582 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 11.4 t70 -76.6 -32.63 58.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 109.882 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.36 -30.98 70.05 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.356 0.598 . . . . 0.0 109.715 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.36 -46.65 26.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.525 -0.734 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 m -68.9 -39.19 79.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.15 -41.29 97.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.5 p -71.41 -34.7 70.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.471 -0.768 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.91 -46.79 56.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.15 -35.83 79.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.377 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -43.5 72.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 110.249 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.27 73.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.35 -0.844 . . . . 0.0 110.319 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 4.6 ttt-85 -73.77 -40.3 63.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.343 -0.848 . . . . 0.0 110.241 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -75.12 -36.79 61.61 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.378 -0.826 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -47.95 74.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.0 110.296 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.99 -33.2 63.74 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.428 -0.795 . . . . 0.0 110.259 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -67.69 -52.18 40.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.348 -0.845 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.58 -34.89 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.24 -35.34 77.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.371 -0.831 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.5 p -73.14 -37.53 66.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.37 -0.831 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -66.4 -55.36 16.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.232 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -29.99 71.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.33 -0.856 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 110.31 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.225 0.535 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -42.61 99.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.324 -0.86 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.07 -44.9 71.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.443 -0.786 . . . . 0.0 110.163 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.84 -40.34 95.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.323 -0.861 . . . . 0.0 110.06 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.91 78.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.81 . . . . 0.0 110.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.44 -37.68 63.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.183 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -70.33 -42.59 71.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.322 -0.861 . . . . 0.0 110.154 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.384 -0.822 . . . . 0.0 110.063 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 8' ' ' VAL . 46.7 m . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -52.9 -26.32 14.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.465 -0.772 . . . . 0.0 110.337 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.66 -52.95 15.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.285 -0.884 . . . . 0.0 110.197 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 5' ' ' THR . 9.2 p -68.0 -25.39 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -46.51 64.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.064 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -62.64 -47.99 81.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.422 -0.799 . . . . 0.0 110.08 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -57.52 -39.56 76.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.87 -33.94 62.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.402 -0.811 . . . . 0.0 109.982 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.25 -31.95 70.69 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.488 -0.757 . . . . 0.0 110.168 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.402 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.9 OUTLIER -51.31 -29.3 14.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.414 -0.804 . . . . 0.0 110.622 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.5 -29.47 0.16 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 111.171 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.9 tp -115.53 28.38 8.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.627 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.603 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 88.6 m -57.11 -41.31 90.54 Favored Pre-proline 0 N--CA 1.487 1.411 0 O-C-N 120.957 -1.09 . . . . 0.0 109.885 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.5 Cg_endo -89.32 89.41 0.39 Allowed 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.426 1.224 . . . . 0.0 109.213 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.53 -6.75 8.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.879 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 6.2 ptt180 -47.39 -28.35 2.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.735 -0.603 . . . . 0.0 110.666 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 8.5 t70 -76.26 -29.63 57.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.353 -0.842 . . . . 0.0 109.841 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.97 -31.38 59.0 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.405 0.622 . . . . 0.0 109.777 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 -46.2 55.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 110.068 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -66.26 -38.52 88.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.789 . . . . 0.0 110.028 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.72 -43.02 63.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.31 -0.868 . . . . 0.0 110.047 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -65.84 -37.02 85.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.457 -0.777 . . . . 0.0 109.995 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.82 -42.91 94.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -71.2 -35.44 71.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.823 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.93 76.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.404 -0.81 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.4 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.413 -0.804 . . . . 0.0 110.157 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -38.22 87.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -38.13 79.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.393 -0.817 . . . . 0.0 110.101 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -69.21 -35.16 75.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.398 -0.814 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.97 -40.18 83.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.406 -0.809 . . . . 0.0 110.141 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.22 72.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.323 -0.861 . . . . 0.0 110.139 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -66.68 -34.82 78.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.322 -0.861 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -58.75 -39.57 81.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.189 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.8 p -72.94 -39.56 66.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.335 -0.853 . . . . 0.0 110.121 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -72.34 -40.41 67.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.373 -0.829 . . . . 0.0 110.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.86 -39.17 93.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.449 -0.782 . . . . 0.0 110.164 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.344 -0.848 . . . . 0.0 109.941 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.185 0.516 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.24 -30.92 52.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.353 -0.842 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.48 -35.09 79.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.175 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.97 -37.23 61.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.92 97.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.392 -0.818 . . . . 0.0 110.149 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.46 -30.92 62.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -71.37 -35.1 70.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.391 -0.818 . . . . 0.0 110.185 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.375 -0.828 . . . . 0.0 110.23 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.19 0.519 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -52.95 -26.36 14.85 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.789 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -66.37 -51.15 60.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.73 -35.66 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -0.866 . . . . 0.0 110.055 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -44.81 70.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.44 -44.7 92.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.404 -0.81 . . . . 0.0 110.154 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HA ' ' OG ' ' A' ' 14' ' ' SER . 2.6 mtt180 -65.54 -30.31 71.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.454 -0.779 . . . . 0.0 110.135 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.35 -33.57 74.53 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.224 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -78.64 -32.45 47.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -60.49 -29.27 68.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.4 -0.813 . . . . 0.0 110.672 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.3 p90 -38.73 -30.75 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.545 -0.722 . . . . 0.0 111.168 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.903 ' CD2' HG22 ' A' ' 19' ' ' VAL . 1.6 tt -141.33 42.69 1.77 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.262 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.1 -46.99 99.7 Favored Pre-proline 0 N--CA 1.491 1.589 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.985 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -90.71 91.81 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.577 1.304 . . . . 0.0 109.584 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.903 HG22 ' CD2' ' A' ' 16' ' ' LEU . 62.7 t -76.03 -6.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.584 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.25 -28.15 1.81 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.713 -0.617 . . . . 0.0 110.756 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 13.3 t70 -76.17 -31.28 58.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.306 -0.871 . . . . 0.0 109.806 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -32.9 61.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.35 0.595 . . . . 0.0 109.878 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -76.81 -37.55 55.55 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.463 -0.773 . . . . 0.0 109.973 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -64.98 -45.33 86.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.039 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.56 -39.67 91.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -73.04 -31.61 64.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.12 -51.04 68.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -63.2 -44.83 94.25 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.301 -0.875 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.32 -31.93 71.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.421 -0.799 . . . . 0.0 110.214 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.51 74.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -32.67 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.414 -0.803 . . . . 0.0 110.135 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -71.41 -46.16 60.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.87 -40.74 98.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.282 -0.886 . . . . 0.0 110.045 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.98 -42.95 99.71 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.116 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.69 76.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -65.27 -42.67 92.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -60.26 -45.69 92.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.362 -0.836 . . . . 0.0 109.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 p -58.61 -39.64 81.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 109.914 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -66.53 -33.45 75.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -61.34 -46.8 88.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.397 -0.814 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.837 . . . . 0.0 109.849 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.61 -41.53 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.851 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -69.65 -41.74 75.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.304 -0.872 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -43.28 99.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.805 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.64 93.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.08 -30.91 62.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.184 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.68 -39.12 67.32 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.395 -0.816 . . . . 0.0 110.335 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.617 ' O ' HG12 ' A' ' 8' ' ' VAL . 38.9 p . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.113 0.482 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -54.17 -25.92 25.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.431 -0.793 . . . . 0.0 110.059 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.94 -52.95 63.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.338 -0.852 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 5' ' ' THR . 7.3 p -71.02 -25.06 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.114 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -51.0 45.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 0.0 110.073 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.49 -42.72 99.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.345 -0.847 . . . . 0.0 110.077 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -30.15 71.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.083 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.59 -30.65 64.56 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -0.829 . . . . 0.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -76.18 -32.0 58.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.379 -0.826 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -30.15 45.44 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.318 -0.864 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 2.4 p90 -41.68 -30.21 0.22 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.504 -0.748 . . . . 0.0 110.857 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 11.4 tp -150.4 30.09 0.69 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.246 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.5 m -57.44 -42.69 97.17 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.045 -1.034 . . . . 0.0 110.059 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.7 Cg_endo -93.08 88.49 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.365 1.192 . . . . 0.0 109.8 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.69 -7.05 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.75 -28.68 2.62 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.809 -0.557 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 28.8 t0 -76.28 -29.76 57.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 109.918 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.21 -30.26 57.91 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.338 0.589 . . . . 0.0 109.851 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.38 -41.67 55.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.401 -0.812 . . . . 0.0 110.155 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -45.06 76.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.09 -36.03 74.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -74.53 -37.65 62.98 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.06 -38.88 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.347 -0.846 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -70.25 -40.97 74.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.352 -0.843 . . . . 0.0 110.142 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -61.79 -40.76 96.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.59 -50.76 33.81 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -0.902 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.64 85.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 110.216 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -67.36 -33.58 75.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.342 -0.849 . . . . 0.0 110.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -70.09 -37.54 75.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -67.08 -46.01 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.455 -0.778 . . . . 0.0 110.104 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.41 67.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.358 -0.839 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -61.42 -46.12 91.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -59.18 -37.22 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.295 -0.878 . . . . 0.0 110.014 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -61.85 -41.73 98.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.826 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.18 -48.36 81.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.412 -0.805 . . . . 0.0 109.828 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -29.84 63.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.321 -0.862 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -32.97 68.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.324 -0.86 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -45.7 86.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.102 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -70.9 -41.45 71.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.812 . . . . 0.0 110.103 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.32 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.95 -41.83 67.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -72.88 -38.34 67.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.841 . . . . 0.0 110.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.829 . . . . 0.0 110.205 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.168 0.509 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.74 -26.3 13.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.347 -0.846 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -68.74 -49.59 57.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.83 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.78 -27.97 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.327 -0.858 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -42.57 58.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.817 . . . . 0.0 110.228 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.56 -47.83 83.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.363 -0.836 . . . . 0.0 110.222 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -61.98 -41.36 97.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -68.9 -29.68 68.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -77.91 -31.96 51.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.493 -0.754 . . . . 0.0 110.352 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -52.65 -29.92 28.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.379 -0.826 . . . . 0.0 110.791 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.86 -30.49 0.26 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.346 -0.846 . . . . 0.0 110.389 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 26.6 tp -139.95 41.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.456 -0.778 . . . . 0.0 110.061 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -52.29 -47.36 92.86 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.402 -0.811 . . . . 0.0 109.866 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.6 Cg_endo -87.86 84.01 0.83 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.67 1.353 . . . . 0.0 109.234 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.36 -7.56 10.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.751 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.5 ptp180 -47.44 -29.08 2.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.63 -0.669 . . . . 0.0 110.589 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -76.44 -30.95 57.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.874 . . . . 0.0 109.728 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -32.45 67.1 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.346 0.593 . . . . 0.0 109.77 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.15 -43.53 57.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 m -62.83 -37.47 86.93 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 110.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.15 -44.96 82.66 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -69.6 -31.16 69.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.031 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -63.2 -49.39 74.41 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.827 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -42.2 85.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.171 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -66.63 -39.35 88.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 110.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.59 73.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.854 . . . . 0.0 110.072 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -63.31 -42.75 99.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.778 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -67.44 -37.13 82.54 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -0.859 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -71.65 -32.55 68.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.393 -0.817 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -42.06 81.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.812 . . . . 0.0 110.151 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.68 74.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.384 -0.822 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.68 80.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.378 -0.826 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -38.69 91.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.348 -0.845 . . . . 0.0 110.169 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -70.01 -41.67 74.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 110.138 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -71.0 -34.77 71.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.386 -0.821 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -38.64 89.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.367 -0.833 . . . . 0.0 110.3 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 110.377 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.202 0.525 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.26 -42.2 80.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.378 -0.826 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.54 -50.29 70.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 0.0 110.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 56' ' ' THR . 9.8 tt0 -61.85 -30.52 70.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.73 -52.38 63.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.216 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.866 . . . . 0.0 110.175 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -72.67 -53.05 12.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.842 . . . . 0.0 110.181 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 52' ' ' GLU . 80.9 p . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.189 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.198 0.523 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.2 p -52.83 -26.25 13.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.837 . . . . 0.0 110.311 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -67.13 -51.5 53.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.99 -32.0 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.306 -0.871 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -70.95 -44.84 65.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.383 -0.823 . . . . 0.0 110.161 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.23 -31.71 72.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -71.18 -34.06 70.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -74.53 -29.9 61.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 110.169 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -32.05 58.18 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -0.79 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -29.96 57.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.35 -0.844 . . . . 0.0 110.745 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -41.4 -30.52 0.19 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.439 -0.788 . . . . 0.0 110.662 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.3 tp -143.25 40.24 1.46 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.477 -0.764 . . . . 0.0 109.891 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.536 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -52.63 -46.78 95.71 Favored Pre-proline 0 N--CA 1.49 1.553 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.89 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.2 Cg_endo -90.55 89.62 0.3 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.671 1.353 . . . . 0.0 109.418 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.35 -7.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.0 110.722 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 16.0 ptt85 -47.43 -28.14 2.0 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.7 t70 -75.51 -30.75 59.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 109.862 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -33.64 62.72 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.391 0.615 . . . . 0.0 109.761 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.72 -40.66 40.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.521 -0.737 . . . . 0.0 109.944 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 m -63.06 -39.47 94.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.403 -0.811 . . . . 0.0 110.048 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -38.49 72.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -0.841 . . . . 0.0 110.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -39.22 69.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.369 -0.832 . . . . 0.0 110.081 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.78 -48.73 73.44 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.365 -0.834 . . . . 0.0 110.142 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -40.04 91.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.11 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.47 79.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.407 -0.808 . . . . 0.0 110.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -48.53 49.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 110.14 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.78 99.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.403 -0.811 . . . . 0.0 110.227 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 t -62.54 -46.4 88.54 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 110.191 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -43.09 99.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.387 -0.82 . . . . 0.0 110.175 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -69.02 -46.25 68.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.359 -0.838 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.52 78.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.07 -46.47 51.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -40.3 64.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.403 -0.81 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.4 t -61.46 -52.36 64.86 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 110.343 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -40.6 85.2 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.3 -0.875 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.76 -41.16 75.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.318 -0.864 . . . . 0.0 110.228 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.405 -0.809 . . . . 0.0 110.521 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.212 0.529 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.88 -36.82 80.19 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.57 -34.06 74.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.348 -0.845 . . . . 0.0 110.201 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -71.71 -40.54 69.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.39 -0.819 . . . . 0.0 110.119 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.36 88.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.347 -0.846 . . . . 0.0 110.143 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.06 -33.34 65.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 110.133 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -62.71 -31.8 72.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.367 -0.833 . . . . 0.0 110.047 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.279 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 8' ' ' VAL . 9.7 t . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.246 0.546 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -52.82 -26.35 14.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.321 -0.862 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.57 -52.59 36.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.393 -0.817 . . . . 0.0 110.222 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 5' ' ' THR . 33.7 m -73.39 -27.11 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.844 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -42.29 59.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.45 -33.52 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -52.38 32.63 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.411 -0.806 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.65 70.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.272 -0.892 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.67 -32.13 67.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.281 -0.887 . . . . 0.0 110.463 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -30.15 63.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 110.686 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.2 p90 -44.02 -26.95 0.33 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.465 -0.772 . . . . 0.0 111.056 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' HG22 ' A' ' 19' ' ' VAL . 15.2 tp -132.99 33.0 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.531 ' HB ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -56.69 -47.15 99.51 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 109.808 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' A' ' 17' ' ' THR . 49.6 Cg_endo -92.54 89.06 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.434 1.229 . . . . 0.0 109.602 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.59 HG22 ' HG ' ' A' ' 16' ' ' LEU . 61.1 t -79.43 -7.92 10.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.409 -0.807 . . . . 0.0 110.709 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -47.58 -31.13 4.15 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.711 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -31.4 56.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.269 -0.894 . . . . 0.0 110.137 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -76.4 -31.01 57.71 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.232 0.539 . . . . 0.0 110.21 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -77.26 -53.4 7.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.407 -0.808 . . . . 0.0 110.159 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -60.11 -45.69 92.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.77 -41.79 98.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.816 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -74.51 -36.14 63.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.263 -0.898 . . . . 0.0 110.435 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.04 -49.15 47.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 110.397 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -38.32 86.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.885 . . . . 0.0 110.2 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -63.31 -53.68 48.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 110.179 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.99 89.94 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.206 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.8 tpt85 -73.83 -36.31 64.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.336 -0.853 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -68.05 -46.8 70.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -44.66 95.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.84 -30.39 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.815 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -63.52 -51.01 67.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.377 -0.827 . . . . 0.0 110.196 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -36.45 66.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -68.41 -40.31 81.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.41 -0.806 . . . . 0.0 110.117 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 m -73.1 -33.11 65.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.349 -0.845 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -66.24 -36.39 82.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.131 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.45 -51.22 17.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.403 -0.811 . . . . 0.0 110.121 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.863 . . . . 0.0 110.003 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.171 0.51 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -36.13 74.66 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -62.66 -49.49 74.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.325 -0.859 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.69 -29.43 69.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.58 52.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.368 -0.832 . . . . 0.0 110.127 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -34.27 75.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -61.39 -37.38 83.21 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.44 -0.788 . . . . 0.0 110.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.166 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.1 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.189 0.519 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 t -52.79 -26.22 13.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.397 -0.814 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.46 -52.96 21.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 5' ' ' THR . 35.9 m -67.12 -25.19 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.316 -0.865 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -44.97 76.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.344 -0.848 . . . . 0.0 109.904 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.69 -41.96 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -0.804 . . . . 0.0 109.847 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.8 71.86 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.343 -0.848 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -29.8 61.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.395 -0.816 . . . . 0.0 109.723 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.25 -31.99 70.9 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.434 ' HA ' HG23 ' A' ' 17' ' ' THR . 0.3 OUTLIER -53.8 -29.62 41.3 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.405 -0.809 . . . . 0.0 110.54 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.5 p90 -39.51 -31.55 0.1 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.437 -0.789 . . . . 0.0 110.759 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 28.0 tp -133.99 42.37 2.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 110.133 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -53.81 -47.13 97.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.751 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.7 Cg_endo -86.9 82.79 1.17 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.639 1.336 . . . . 0.0 109.234 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG22 ' HG ' ' A' ' 16' ' ' LEU . 60.6 t -74.21 -6.67 8.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.793 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.14 -28.09 1.67 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.763 -0.586 . . . . 0.0 110.775 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 27.2 t0 -71.88 -32.62 67.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.739 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.322 0.582 . . . . 0.0 109.921 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.58 69.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.457 -0.777 . . . . 0.0 110.011 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.1 p -74.44 -35.8 63.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.485 -0.76 . . . . 0.0 110.032 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.78 -47.71 83.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.433 -0.792 . . . . 0.0 109.979 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -67.75 -36.83 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.46 -0.775 . . . . 0.0 110.007 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.73 -47.31 54.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.124 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.22 -40.87 91.69 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.422 -0.799 . . . . 0.0 110.21 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -46.73 88.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.397 -0.815 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.14 70.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -71.7 -38.55 70.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -0.881 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -72.68 -34.11 66.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -73.3 -42.18 62.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -73.94 -38.86 64.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.275 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.98 59.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -62.18 -35.04 77.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.271 -0.893 . . . . 0.0 110.028 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -68.44 -39.08 81.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.43 -0.794 . . . . 0.0 110.225 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 p -65.64 -37.91 87.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.346 -0.846 . . . . 0.0 110.079 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.41 -53.0 61.33 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 110.178 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -60.95 -29.87 69.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.342 -0.849 . . . . 0.0 110.155 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.345 -0.847 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.221 0.534 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -39.78 86.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.9 -53.94 22.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.63 -34.39 75.58 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.11 63.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.43 -0.794 . . . . 0.0 110.051 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -53.61 -38.07 63.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.0 110.23 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -32.89 66.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.813 . . . . 0.0 109.98 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.216 0.532 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -52.85 -26.43 14.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.463 -0.773 . . . . 0.0 110.247 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.29 -51.88 47.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.94 -39.89 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.346 -0.846 . . . . 0.0 110.35 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.13 59.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.13 -48.3 71.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -60.52 -36.97 79.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.359 -0.838 . . . . 0.0 110.212 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -67.29 -31.93 72.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.382 -0.823 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -32.38 45.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.458 -0.776 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -29.66 67.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.349 -0.844 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -40.2 -30.08 0.09 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.493 -0.754 . . . . 0.0 110.809 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.8 ' HG ' HG22 ' A' ' 19' ' ' VAL . 29.5 tp -148.08 43.18 1.05 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.49 -0.756 . . . . 0.0 109.768 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -54.7 -48.51 95.21 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.381 -0.824 . . . . 0.0 110.018 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.1 Cg_endo -92.48 92.66 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 123.475 1.25 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.8 HG22 ' HG ' ' A' ' 16' ' ' LEU . 60.0 t -86.39 -8.85 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 5.4 ptt-85 -48.41 -32.58 7.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.748 -0.595 . . . . 0.0 111.037 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 7.1 t0 -76.47 -37.49 56.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.19 -0.944 . . . . 0.0 110.276 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.8 mt-10 -76.45 -38.33 55.61 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.172 0.51 . . . . 0.0 110.27 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.27 -42.19 93.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.197 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -43.32 74.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.367 -0.833 . . . . 0.0 110.097 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.55 -41.11 66.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 110.036 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 m -61.68 -37.73 85.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -68.13 -47.22 68.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 0.0 109.996 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -71.85 -34.95 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.344 -0.847 . . . . 0.0 110.098 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -61.17 -51.32 69.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.875 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.67 96.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.1 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -38.27 73.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.342 -0.849 . . . . 0.0 110.079 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -73.7 -37.35 65.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.111 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -65.26 -35.29 80.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.83 -37.01 64.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 110.171 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.52 -51.15 59.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.86 78.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.414 -0.804 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.6 -40.81 63.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 m -61.5 -49.07 78.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -37.71 87.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -69.72 -41.33 75.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.035 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.45 -0.781 . . . . 0.0 110.001 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.26 0.552 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -41.29 83.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.04 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.45 -36.3 82.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.398 -0.814 . . . . 0.0 110.059 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.53 -40.06 85.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.113 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.27 96.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.827 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.75 -30.77 68.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.787 . . . . 0.0 110.196 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -46.83 66.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.793 . . . . 0.0 110.185 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 m . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.396 -0.815 . . . . 0.0 110.111 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 8' ' ' VAL . 6.5 p . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -55.78 -25.68 42.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 110.143 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.35 -52.94 9.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.339 -0.85 . . . . 0.0 110.551 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 5' ' ' THR . 34.8 m -63.11 -25.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.271 -0.893 . . . . 0.0 110.346 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -74.58 -48.41 26.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.282 -0.886 . . . . 0.0 110.167 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.07 -47.09 66.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -42.92 86.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -66.81 -31.98 72.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.49 46.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -0.836 . . . . 0.0 110.498 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.405 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -59.85 -29.72 68.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.437 -0.79 . . . . 0.0 110.873 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.3 p90 -43.51 -26.96 0.24 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.814 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.928 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -160.35 37.01 0.17 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.439 -0.788 . . . . 0.0 109.964 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.556 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.6 m -52.17 -41.95 83.53 Favored Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.493 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.6 Cg_endo -91.87 88.26 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.241 1.127 . . . . 0.0 109.589 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.928 HG22 ' CD2' ' A' ' 16' ' ' LEU . 49.5 t -78.33 -7.34 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.7 ptt180 -47.56 -29.69 3.03 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.668 -0.645 . . . . 0.0 110.692 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 15.2 t70 -76.69 -31.57 57.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.305 -0.872 . . . . 0.0 109.965 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -34.13 58.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.261 0.553 . . . . 0.0 110.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.29 -36.29 46.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.177 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 t -74.55 -41.52 60.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.297 -0.877 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.96 -36.98 67.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.839 . . . . 0.0 110.144 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -74.5 -39.13 62.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -66.71 -36.27 82.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.333 -0.855 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -73.11 -46.95 48.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.847 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -69.63 -43.34 72.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.05 77.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.853 . . . . 0.0 110.145 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -42.07 61.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.419 -0.801 . . . . 0.0 110.197 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -61.7 -41.46 97.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.61 71.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 110.189 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.71 64.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 0.0 110.21 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.72 82.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.41 -0.806 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 mtm-85 -73.27 -41.29 63.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -70.62 -42.76 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -60.87 -47.1 87.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.334 -0.854 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -71.27 -32.69 68.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.32 -0.862 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -72.77 -38.17 67.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 110.421 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.366 -0.833 . . . . 0.0 110.386 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.168 0.509 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -40.23 71.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.401 -0.812 . . . . 0.0 110.154 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.79 -47.41 66.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.866 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.13 -34.35 76.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.457 -0.777 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.44 73.7 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.8 -31.64 68.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -72.84 -33.73 66.35 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.143 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 8' ' ' VAL . 9.4 t . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -52.85 -26.3 14.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.333 -0.854 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -73.16 -52.5 13.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 5' ' ' THR . 34.5 m -69.79 -25.48 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -74.4 -48.12 29.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.84 -43.04 94.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.355 -0.841 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -61.25 -41.12 96.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.394 -0.816 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -68.48 -30.29 69.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.424 -0.798 . . . . 0.0 110.184 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -32.42 46.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.414 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -59.4 -29.45 67.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.357 -0.839 . . . . 0.0 110.755 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.8 p90 -41.32 -28.88 0.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.458 -0.776 . . . . 0.0 110.424 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -159.8 39.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.591 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.2 m -54.57 -40.28 81.89 Favored Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.371 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.9 Cg_endo -92.82 94.75 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.398 1.21 . . . . 0.0 109.411 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.5 t -72.02 -8.72 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.387 -0.821 . . . . 0.0 110.873 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -47.48 -29.54 2.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.671 -0.643 . . . . 0.0 110.496 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.7 t0 -76.5 -32.6 58.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 109.736 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.55 -29.99 67.69 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.329 0.585 . . . . 0.0 109.775 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.88 -46.81 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.478 -0.764 . . . . 0.0 110.085 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 t -66.96 -44.25 81.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.047 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.61 -43.88 88.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.82 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.2 p -66.48 -32.08 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.836 . . . . 0.0 110.064 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.94 -45.24 90.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -71.94 -41.41 67.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -69.85 -47.52 62.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.118 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.28 85.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.333 -0.854 . . . . 0.0 110.143 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -64.69 -28.62 69.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.422 -0.799 . . . . 0.0 110.059 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 t -73.4 -34.52 65.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.332 -0.855 . . . . 0.0 110.071 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -36.8 65.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.331 -0.856 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.41 -37.7 65.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.415 -0.803 . . . . 0.0 110.123 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.96 87.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -65.6 -50.18 66.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -0.809 . . . . 0.0 110.189 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.63 -37.58 85.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.42 -0.8 . . . . 0.0 110.15 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -66.13 -49.2 68.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.313 -0.867 . . . . 0.0 110.146 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.75 -34.13 77.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -32.63 71.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.163 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.39 -0.819 . . . . 0.0 110.048 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.139 0.495 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.38 -36.75 66.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -75.4 -31.87 60.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.95 -48.05 26.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.95 89.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.818 . . . . 0.0 110.227 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.48 -31.86 62.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.311 -0.868 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -31.79 65.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.391 -0.818 . . . . 0.0 110.356 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.273 0.559 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m -53.01 -26.43 15.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.56 -42.49 58.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.76 -35.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 109.896 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -69.64 -47.91 61.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.815 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.67 -41.87 87.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.346 -0.847 . . . . 0.0 110.017 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.72 71.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.855 . . . . 0.0 109.904 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -67.71 -34.97 77.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.447 -0.783 . . . . 0.0 110.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -32.38 59.51 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.439 -0.788 . . . . 0.0 110.174 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.33 -29.08 68.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.457 -0.777 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -38.83 -30.19 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.549 -0.719 . . . . 0.0 111.384 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -137.86 38.58 2.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 110.651 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.558 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.9 -45.4 98.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.907 . . . . 0.0 109.87 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.3 Cg_endo -90.67 95.33 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.63 1.331 . . . . 0.0 109.073 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.602 HG22 ' CD2' ' A' ' 16' ' ' LEU . 60.2 t -70.18 -8.72 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.063 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 7.0 ptp180 -47.38 -28.64 2.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.571 -0.705 . . . . 0.0 110.469 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.5 t0 -76.15 -32.24 58.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.723 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.48 -31.67 68.88 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.39 0.614 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -46.33 51.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -62.39 -42.36 99.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 109.998 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -44.63 73.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.449 -0.782 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.4 t -62.94 -36.95 85.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.444 -0.785 . . . . 0.0 110.038 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -67.8 -33.97 75.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.322 -0.862 . . . . 0.0 110.021 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -65.24 -44.8 87.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.53 -42.08 95.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.797 . . . . 0.0 110.194 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.27 85.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.149 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -35.08 64.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -73.56 -42.26 61.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.328 -0.857 . . . . 0.0 110.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -39.19 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 110.147 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.92 -31.52 66.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.867 . . . . 0.0 110.154 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.05 87.76 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.133 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -73.24 -34.95 66.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.306 -0.871 . . . . 0.0 110.134 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -47.56 78.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 110.082 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -49.01 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.311 -0.868 . . . . 0.0 110.174 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -65.13 -32.77 74.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.445 -0.784 . . . . 0.0 110.101 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -70.5 -30.11 66.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.378 -0.826 . . . . 0.0 110.271 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.209 0.528 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.49 -41.55 69.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.56 -45.28 83.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.426 -0.796 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.26 -42.15 98.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.381 -0.824 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.19 90.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.6 -38.13 62.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -64.7 -31.87 73.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.212 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.92 -26.25 14.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.825 . . . . 0.0 110.288 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.4 -52.7 12.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.78 -30.03 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.355 -0.841 . . . . 0.0 110.086 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -73.6 -45.64 51.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.86 -52.89 63.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.7 -31.37 71.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.464 -0.772 . . . . 0.0 110.316 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 52.7 ttm-85 -66.46 -33.23 75.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.348 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -79.08 -35.59 42.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -29.46 67.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.854 . . . . 0.0 110.766 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -29.28 0.07 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.475 -0.765 . . . . 0.0 111.215 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.736 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -144.12 39.04 1.32 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.927 . . . . 0.0 110.294 179.304 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.91 -47.87 93.66 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.009 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.0 Cg_endo -92.09 94.08 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.54 1.284 . . . . 0.0 109.296 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.736 HG22 ' CD2' ' A' ' 16' ' ' LEU . 58.3 t -71.58 -8.6 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 110.828 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptt180 -47.5 -28.23 2.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.702 -0.623 . . . . 0.0 110.657 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.8 t70 -76.26 -29.45 57.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 109.961 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.3 mt-10 -76.15 -31.91 58.81 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.343 0.592 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.12 -33.79 50.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.476 -0.765 . . . . 0.0 110.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -70.17 -46.51 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.2 -41.76 89.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.432 -0.793 . . . . 0.0 110.071 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -63.4 -41.45 98.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.011 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -71.62 -38.05 70.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.407 -0.808 . . . . 0.0 110.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -42.52 91.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.804 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -41.62 90.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.062 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.29 -41.92 72.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 0.0 110.061 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -39.36 94.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.445 -0.784 . . . . 0.0 110.061 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -68.75 -36.13 77.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.201 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -46.45 87.69 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.61 91.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.64 76.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.098 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -67.8 -44.02 78.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.98 -37.57 87.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -62.01 -47.16 86.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.814 . . . . 0.0 110.086 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -62.45 -36.69 83.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -47.71 38.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 110.124 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.284 -0.885 . . . . 0.0 110.162 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.316 0.579 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.85 -33.81 76.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.291 -0.88 . . . . 0.0 110.147 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.94 -38.82 89.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.413 -0.804 . . . . 0.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.15 -34.94 77.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.33 92.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.8 -32.98 74.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.139 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -69.79 -33.32 72.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.455 -0.778 . . . . 0.0 110.225 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.367 -0.833 . . . . 0.0 110.19 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 8' ' ' VAL . 60.6 m . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.042 0.449 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -53.35 -26.3 18.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.273 -0.892 . . . . 0.0 110.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.67 -52.99 12.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 5' ' ' THR . 33.1 m -68.49 -25.57 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -66.7 -51.15 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.34 -42.78 99.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.321 -0.862 . . . . 0.0 109.995 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -63.07 -33.67 75.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 ttm180 -70.37 -29.87 66.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.372 -0.83 . . . . 0.0 110.088 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -75.0 -32.29 61.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.56 67.07 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.364 -0.835 . . . . 0.0 110.506 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.07 -28.1 0.16 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.432 -0.793 . . . . 0.0 110.906 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.9 tp -142.47 39.02 1.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 0.0 110.088 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.65 -46.9 98.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.271 -0.893 . . . . 0.0 109.707 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -91.54 93.98 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.673 1.354 . . . . 0.0 109.153 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.15 -7.56 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 0.0 110.848 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 3.9 ptm180 -47.29 -28.25 1.9 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.685 -0.635 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 t70 -70.34 -39.64 74.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.437 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.498 0.666 . . . . 0.0 109.357 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.04 -30.85 69.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -62.56 -50.87 69.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 0.0 109.917 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -48.25 81.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 0.0 109.944 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -63.73 -35.43 80.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 109.724 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -70.09 -38.15 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 0.0 109.947 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.06 85.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.335 -0.853 . . . . 0.0 110.018 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.86 -43.76 98.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 0.0 110.024 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.342 -0.848 . . . . 0.0 110.191 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.321 -0.862 . . . . 0.0 110.127 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.3 p -60.4 -46.19 90.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -61.11 -47.71 85.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.134 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -32.6 73.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.36 -0.838 . . . . 0.0 110.021 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.99 95.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.407 -0.808 . . . . 0.0 109.994 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -62.0 -53.82 50.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.037 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -58.76 -36.14 73.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.793 . . . . 0.0 110.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -68.4 -40.45 81.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.928 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -36.06 74.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.417 -0.802 . . . . 0.0 110.008 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -50.51 48.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 0.0 109.999 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.451 -0.78 . . . . 0.0 110.461 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.226 0.536 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.92 -30.89 64.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.397 -0.814 . . . . 0.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.22 -53.65 54.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 0.0 110.121 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.81 -34.4 77.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.423 -0.798 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.3 90.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -33.63 69.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.0 110.012 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -72.67 -31.64 65.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.341 -0.849 . . . . 0.0 110.248 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.644 ' O ' HG12 ' A' ' 8' ' ' VAL . 6.9 m . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.224 0.535 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -52.85 -26.29 14.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.0 110.362 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -62.69 -52.76 62.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.477 -0.764 . . . . 0.0 110.327 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 5' ' ' THR . 7.1 p -70.32 -25.17 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.347 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CD ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -72.61 -50.88 22.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 110.194 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.43 -44.34 62.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -35.34 76.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.347 -0.846 . . . . 0.0 110.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -74.82 -30.32 61.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.109 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.0 72.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.854 . . . . 0.0 110.199 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -29.33 67.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.4 -0.812 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.1 p90 -41.66 -27.94 0.12 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.521 -0.737 . . . . 0.0 110.919 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 26.1 tp -139.39 39.48 2.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.3 -0.875 . . . . 0.0 110.318 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.552 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.4 -45.7 98.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.617 179.245 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.3 Cg_endo -89.56 91.5 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.661 1.348 . . . . 0.0 108.867 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.99 -7.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 111.022 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 14.5 ptt180 -47.24 -29.02 2.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.4 t70 -76.46 -32.39 58.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.907 . . . . 0.0 109.711 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -31.2 68.37 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.381 0.61 . . . . 0.0 109.675 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.19 -45.12 50.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.419 -0.8 . . . . 0.0 109.91 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.93 74.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.343 -0.848 . . . . 0.0 109.998 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.35 -48.12 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.003 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -70.86 -36.45 72.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 110.033 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.26 -36.32 74.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 0.0 110.091 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -69.39 -40.73 77.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.85 . . . . 0.0 110.096 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.95 -43.77 98.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.079 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.88 70.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.018 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.366 -0.834 . . . . 0.0 110.114 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -47.85 82.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.858 . . . . 0.0 110.099 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -43.01 99.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.324 -0.86 . . . . 0.0 109.993 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -62.89 -41.84 99.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.505 -0.747 . . . . 0.0 110.084 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.88 -36.14 77.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.409 -0.807 . . . . 0.0 110.144 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -67.14 -38.23 85.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.331 -0.856 . . . . 0.0 110.116 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -32.12 64.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.827 . . . . 0.0 110.017 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.9 p -71.28 -39.52 71.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.807 . . . . 0.0 110.152 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -69.16 -37.24 78.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 110.078 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.21 75.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 0.0 110.055 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 110.051 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 121.076 0.465 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.35 -39.56 71.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.396 -0.815 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.79 70.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.852 . . . . 0.0 110.203 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.68 -50.49 72.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.89 88.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.375 -0.828 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.67 -31.98 72.97 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.176 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -71.01 -50.59 32.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.85 . . . . 0.0 110.188 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.45 -0.781 . . . . 0.0 110.152 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 8' ' ' VAL . 56.7 m . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.261 0.553 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -53.53 -26.1 19.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -0.877 . . . . 0.0 110.207 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.36 -52.83 14.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.443 -0.786 . . . . 0.0 110.33 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 5' ' ' THR . 35.6 m -65.57 -25.3 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 110.342 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -73.68 -39.21 64.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 0.0 110.039 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -44.68 67.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.061 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -61.5 -43.26 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.379 -0.826 . . . . 0.0 110.217 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -29.74 69.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -32.09 51.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.448 -0.782 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.14 62.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.425 -0.797 . . . . 0.0 110.693 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.7 p90 -43.4 -28.34 0.34 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.426 -0.796 . . . . 0.0 110.499 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.848 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -144.44 38.85 1.27 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.441 -0.787 . . . . 0.0 109.804 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -51.43 -48.19 86.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.208 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.6 Cg_endo -89.94 89.1 0.35 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.658 1.346 . . . . 0.0 109.257 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.848 HG22 ' CD2' ' A' ' 16' ' ' LEU . 48.2 t -73.91 -8.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.784 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.7 ptt85 -47.54 -28.85 2.45 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.738 -0.601 . . . . 0.0 110.626 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -76.57 -29.3 56.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.333 -0.855 . . . . 0.0 109.903 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.37 -31.24 60.42 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.285 0.564 . . . . 0.0 109.869 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -40.95 36.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.465 -0.772 . . . . 0.0 110.097 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -44.71 71.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.359 -0.838 . . . . 0.0 110.186 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -39.3 88.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -71.71 -32.52 67.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.061 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -71.54 -39.38 70.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.421 -0.799 . . . . 0.0 110.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -71.99 -35.22 69.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.84 -43.25 72.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.388 -0.82 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.63 96.36 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 0.0 110.086 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.84 -32.44 63.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.19 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 t -71.42 -41.04 70.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.42 -0.8 . . . . 0.0 110.151 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -34.2 74.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.44 -0.788 . . . . 0.0 110.134 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -73.85 -38.71 64.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.072 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.18 -46.65 64.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.321 -0.862 . . . . 0.0 110.094 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -62.92 -38.52 91.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.65 -41.46 96.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -61.91 -38.78 89.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.14 -40.63 96.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.383 -0.823 . . . . 0.0 110.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.59 -39.85 64.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.334 -0.854 . . . . 0.0 110.234 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 110.352 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.192 0.52 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.0 -44.7 72.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.435 -0.791 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.5 -45.18 95.31 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.211 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -42.09 96.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.335 -0.853 . . . . 0.0 110.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -32.53 69.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.8 -41.03 92.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.364 -0.835 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -72.79 -36.99 67.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.883 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.357 -0.84 . . . . 0.0 110.134 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 8' ' ' VAL . 32.4 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.254 0.549 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.9 p -53.08 -26.3 15.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.361 -0.837 . . . . 0.0 110.279 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.19 -52.67 62.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.434 -0.791 . . . . 0.0 110.216 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 5' ' ' THR . 34.7 m -72.85 -25.46 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.335 -0.853 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -74.59 -39.75 62.03 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.257 -0.902 . . . . 0.0 110.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.58 -38.01 65.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.205 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -42.77 94.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -0.814 . . . . 0.0 110.039 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -29.71 60.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.167 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -32.13 72.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -30.02 34.68 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.325 -0.859 . . . . 0.0 110.549 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 1.9 p90 -41.64 -30.7 0.24 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.405 -0.81 . . . . 0.0 110.586 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 16' ' ' LEU . 29.0 tp -141.33 40.11 1.75 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -52.96 -46.52 97.37 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.959 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.9 Cg_endo -89.76 88.42 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.601 1.316 . . . . 0.0 109.275 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.03 -6.84 9.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.728 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.33 -28.67 2.11 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.663 -0.648 . . . . 0.0 110.599 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 t0 -76.41 -31.53 57.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.803 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.89 -30.78 64.22 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.354 0.597 . . . . 0.0 109.804 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.8 -44.17 50.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -62.34 -39.13 92.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.052 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.36 -39.84 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.806 . . . . 0.0 110.004 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 m -71.36 -34.61 70.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.361 -0.837 . . . . 0.0 110.128 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -70.13 -44.19 69.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 110.033 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -43.17 83.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.299 -0.876 . . . . 0.0 110.093 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -62.59 -43.65 98.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.41 -0.806 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.7 70.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.62 -47.62 82.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.443 -0.786 . . . . 0.0 110.093 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -72.73 -36.44 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.089 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.18 -38.86 89.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.375 -0.828 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.54 -42.96 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -65.58 -43.23 90.39 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -0.839 . . . . 0.0 110.061 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -34.63 74.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.021 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 m -65.81 -45.47 82.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 110.138 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -33.35 75.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.841 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -52.26 23.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.149 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.02 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.168 0.509 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.09 -39.6 82.69 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.412 -0.805 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -64.2 -41.44 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.216 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -68.87 -42.91 76.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.33 86.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.08 -33.83 76.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.449 -0.782 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -31.87 65.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.205 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.214 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.077 0.465 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -53.81 -26.62 24.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.391 -0.818 . . . . 0.0 110.202 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -50.33 13.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.29 -31.77 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.329 -0.857 . . . . 0.0 110.279 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -73.03 -51.08 19.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.86 . . . . 0.0 110.187 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -37.65 84.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.833 . . . . 0.0 110.096 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -69.6 -30.41 68.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -31.12 66.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.194 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -78.61 -32.33 47.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.319 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -29.67 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.378 -0.826 . . . . 0.0 110.625 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -40.56 -29.69 0.1 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.486 -0.759 . . . . 0.0 111.144 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.649 HD21 HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -143.63 38.43 1.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 0.0 110.168 179.444 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.12 -47.17 96.83 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.435 -0.791 . . . . 0.0 110.18 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -92.14 94.04 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.552 1.29 . . . . 0.0 109.396 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.649 HG22 HD21 ' A' ' 16' ' ' LEU . 55.3 t -72.66 -8.74 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.701 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.0 ptm180 -47.96 -28.42 2.73 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.692 -0.63 . . . . 0.0 110.51 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.2 t70 -76.23 -29.93 57.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.847 . . . . 0.0 109.836 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -74.3 -32.06 62.73 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.354 0.597 . . . . 0.0 109.69 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -74.51 -39.04 62.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.517 -0.74 . . . . 0.0 109.964 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -43.93 87.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.385 -0.822 . . . . 0.0 110.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.99 -44.84 95.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.387 -0.821 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -66.28 -41.24 90.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 110.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.72 -40.92 97.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.395 -0.816 . . . . 0.0 110.099 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -32.05 73.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 110.167 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -44.17 81.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -0.851 . . . . 0.0 110.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.45 76.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -62.44 -37.82 87.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.16 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -71.68 -33.57 68.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -45.01 95.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.397 -0.815 . . . . 0.0 110.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -73.49 -37.05 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.793 . . . . 0.0 110.144 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -45.49 66.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.29 -0.881 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.44 -34.89 78.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.51 -50.43 67.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.168 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -58.29 -38.75 77.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.381 -0.824 . . . . 0.0 110.195 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.55 -40.56 97.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -73.67 -43.71 58.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.397 -0.815 . . . . 0.0 110.204 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.0 110.358 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.174 0.512 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.77 -31.01 71.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 110.044 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -61.06 -51.93 67.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 110.095 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.53 -29.4 70.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.425 -0.797 . . . . 0.0 110.024 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.96 64.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.35 -0.844 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.82 -31.5 72.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.148 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -72.8 -35.57 67.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -0.834 . . . . 0.0 110.155 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.316 -0.865 . . . . 0.0 110.159 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.131 0.491 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -52.78 -26.56 14.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.372 -0.83 . . . . 0.0 110.207 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -75.23 -48.89 21.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.368 -0.832 . . . . 0.0 110.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.29 -28.26 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -50.96 51.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.401 -0.812 . . . . 0.0 110.144 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -44.6 96.99 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.315 -0.865 . . . . 0.0 110.076 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -30.33 68.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 110.156 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.3 mmm180 -68.14 -30.3 69.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.897 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.86 -41.55 29.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.402 -0.811 . . . . 0.0 110.369 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.71 66.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -41.11 -28.99 0.1 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.58 -0.7 . . . . 0.0 110.853 -179.455 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 19' ' ' VAL . 1.4 tp -141.46 40.2 1.73 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.321 -0.862 . . . . 0.0 110.243 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.547 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -51.52 -46.26 90.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.877 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.4 Cg_endo -88.29 89.11 0.49 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.62 1.326 . . . . 0.0 108.863 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG22 HD23 ' A' ' 16' ' ' LEU . 62.0 t -71.04 -8.39 11.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.007 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.2 ptm180 -47.35 -29.12 2.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.607 -0.683 . . . . 0.0 110.432 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.1 t70 -76.41 -32.91 58.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.95 -31.32 70.11 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.33 0.586 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.39 -43.7 48.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.557 -0.714 . . . . 0.0 109.963 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -67.68 -41.32 83.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 109.962 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.38 -47.71 80.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.432 -0.793 . . . . 0.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -63.24 -35.53 80.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 0.0 109.984 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -71.74 -35.78 70.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.804 . . . . 0.0 110.126 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -70.63 -39.63 73.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 110.047 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -37.67 87.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.388 -0.82 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.56 71.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.034 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -63.77 -44.14 94.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.381 -0.824 . . . . 0.0 110.023 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -40.55 97.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.84 . . . . 0.0 110.027 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.75 98.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.112 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -44.55 64.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.336 -0.853 . . . . 0.0 110.136 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.66 93.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -62.35 -49.03 77.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.205 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.66 -38.77 87.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.155 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.41 -0.806 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -62.57 -34.01 76.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -73.62 -35.27 65.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.423 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.142 0.496 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.55 -31.01 44.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.39 -0.818 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.91 -42.01 67.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 110.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.65 -40.79 88.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.429 -0.795 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.66 96.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -67.45 -31.19 71.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.274 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.24 -35.78 76.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.383 -0.823 . . . . 0.0 110.17 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.22 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG12 ' A' ' 8' ' ' VAL . 52.3 m . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.241 0.543 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -53.56 -26.07 19.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 110.325 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.05 -52.17 66.5 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.361 -0.837 . . . . 0.0 110.44 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 5' ' ' THR . 8.2 p -75.23 -26.01 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.464 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -50.84 16.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.262 -0.899 . . . . 0.0 110.021 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -63.01 -50.93 68.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.449 -0.782 . . . . 0.0 110.173 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -38.86 77.1 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 4.3 tpp180 -63.99 -32.48 74.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.308 -0.87 . . . . 0.0 110.124 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -32.54 47.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.72 -29.12 67.47 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.325 -0.859 . . . . 0.0 110.712 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -38.42 -30.77 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.561 -0.712 . . . . 0.0 110.822 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD22 HG22 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -149.29 46.55 0.98 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.38 -0.825 . . . . 0.0 109.724 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -51.85 -46.78 92.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.711 -0.618 . . . . 0.0 110.344 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -85.95 82.57 1.44 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.561 1.295 . . . . 0.0 109.285 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG22 HD22 ' A' ' 16' ' ' LEU . 46.8 t -79.67 -6.61 9.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.748 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 5.3 ptp180 -47.38 -29.09 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.751 -0.593 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -76.61 -32.66 58.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 110.066 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.41 -30.96 57.66 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -35.28 55.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.423 -0.798 . . . . 0.0 110.176 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -39.54 67.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.348 -0.845 . . . . 0.0 110.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -72.14 -35.58 69.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 110.15 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -74.59 -38.65 62.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.398 -0.814 . . . . 0.0 110.17 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.17 -46.77 87.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -71.17 -31.87 68.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.359 -0.838 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -62.75 -41.57 99.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.92 68.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -0.836 . . . . 0.0 110.157 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -73.28 -41.87 63.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 0.0 110.184 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.8 m -63.63 -39.84 95.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.287 -0.883 . . . . 0.0 110.162 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -66.91 -43.9 82.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.379 -0.826 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.73 -42.56 61.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.0 110.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.99 85.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -38.06 66.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.363 -0.836 . . . . 0.0 110.201 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -73.27 -39.33 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.363 -0.836 . . . . 0.0 110.173 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -52.58 63.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.381 -0.824 . . . . 0.0 110.193 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.63 73.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.53 -43.19 60.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.454 -0.779 . . . . 0.0 110.117 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.204 0.526 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.6 -40.33 94.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.384 -0.822 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.02 -42.92 99.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.393 -0.817 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.65 -38.35 73.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.166 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.48 69.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 0.0 110.206 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.75 -49.35 66.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.174 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.83 -54.55 40.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.259 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.41 167.75 26.51 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 O-C-N 123.802 1.422 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 mtt -102.03 147.96 25.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -0.837 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -81.52 -20.27 40.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.2 p -58.25 -31.75 67.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.226 -0.921 . . . . 0.0 110.373 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -52.84 -26.28 14.11 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.277 -0.889 . . . . 0.0 110.39 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.65 -52.77 10.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.368 -0.833 . . . . 0.0 110.352 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.27 -25.84 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.324 -0.86 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -68.64 -50.79 48.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.353 -0.842 . . . . 0.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.28 -44.09 84.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.325 -0.859 . . . . 0.0 110.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -33.59 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.142 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 7.8 ttt180 -75.07 -29.62 60.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.36 -0.837 . . . . 0.0 110.372 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -32.49 57.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.457 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.81 67.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.413 -0.804 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.12 -28.07 0.16 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.479 -0.763 . . . . 0.0 110.963 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -143.57 38.0 1.36 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.323 -0.86 . . . . 0.0 110.236 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.72 -48.46 90.78 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.909 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.5 Cg_endo -91.93 93.82 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.558 1.294 . . . . 0.0 109.377 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.733 HG22 HD21 ' A' ' 16' ' ' LEU . 61.7 t -70.98 -9.18 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 110.866 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.52 -29.92 3.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.682 -0.636 . . . . 0.0 110.582 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 11.4 t70 -76.6 -32.63 58.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 109.882 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.36 -30.98 70.05 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.356 0.598 . . . . 0.0 109.715 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.36 -46.65 26.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.525 -0.734 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 m -68.9 -39.19 79.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.15 -41.29 97.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.5 p -71.41 -34.7 70.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.471 -0.768 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.91 -46.79 56.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.15 -35.83 79.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.377 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -43.5 72.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 110.249 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.27 73.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.35 -0.844 . . . . 0.0 110.319 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 4.6 ttt-85 -73.77 -40.3 63.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.343 -0.848 . . . . 0.0 110.241 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -75.12 -36.79 61.61 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.378 -0.826 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -47.95 74.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.0 110.296 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.99 -33.2 63.74 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.428 -0.795 . . . . 0.0 110.259 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -67.69 -52.18 40.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.348 -0.845 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.58 -34.89 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.24 -35.34 77.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.371 -0.831 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.5 p -73.14 -37.53 66.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.37 -0.831 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -66.4 -55.36 16.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.232 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -29.99 71.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.33 -0.856 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -61.42 -57.95 10.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.6 m -53.36 -41.74 66.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.496 -0.752 . . . . 0.0 109.518 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.6 mt-30 178.13 -178.47 0.25 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -66.74 -26.39 73.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 43' ' ' GLN . 7.5 t 70.26 -12.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.585 -0.95 . . . . 0.0 111.418 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.449 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.3 m 54.19 26.52 6.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.949 -1.094 . . . . 0.0 110.457 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -140.18 -53.17 0.51 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.444 -0.785 . . . . 0.0 110.156 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -65.85 -28.98 69.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -65.3 -34.38 78.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.837 . . . . 0.0 110.159 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -42.61 99.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.324 -0.86 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.07 -44.9 71.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.443 -0.786 . . . . 0.0 110.163 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.84 -40.34 95.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.323 -0.861 . . . . 0.0 110.06 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.91 78.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.81 . . . . 0.0 110.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.44 -37.68 63.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.183 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -70.33 -42.59 71.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.322 -0.861 . . . . 0.0 110.154 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.52 -37.58 87.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.384 -0.822 . . . . 0.0 110.063 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt 57.95 160.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.625 -0.672 . . . . 0.0 110.452 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -136.39 108.36 0.66 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.79 -160.29 0.76 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.475 -1.015 . . . . 0.0 110.178 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.209 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.55 -50.2 0.24 Allowed 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.463 1.244 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.1 mtm -150.63 111.51 4.3 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.333 -0.855 . . . . 0.0 110.164 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -161.97 45.22 0.16 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.392 -0.818 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 8' ' ' VAL . 46.7 m -65.0 -31.59 72.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.312 -0.868 . . . . 0.0 110.097 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -52.9 -26.32 14.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.465 -0.772 . . . . 0.0 110.337 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.66 -52.95 15.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.285 -0.884 . . . . 0.0 110.197 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 5' ' ' THR . 9.2 p -68.0 -25.39 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -46.51 64.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.064 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -62.64 -47.99 81.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.422 -0.799 . . . . 0.0 110.08 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -57.52 -39.56 76.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.87 -33.94 62.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.402 -0.811 . . . . 0.0 109.982 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.25 -31.95 70.69 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.488 -0.757 . . . . 0.0 110.168 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.402 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.9 OUTLIER -51.31 -29.3 14.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.414 -0.804 . . . . 0.0 110.622 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.5 -29.47 0.16 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 111.171 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.9 tp -115.53 28.38 8.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.627 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.603 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 88.6 m -57.11 -41.31 90.54 Favored Pre-proline 0 N--CA 1.487 1.411 0 O-C-N 120.957 -1.09 . . . . 0.0 109.885 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.5 Cg_endo -89.32 89.41 0.39 Allowed 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.426 1.224 . . . . 0.0 109.213 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.53 -6.75 8.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.879 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 6.2 ptt180 -47.39 -28.35 2.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.735 -0.603 . . . . 0.0 110.666 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 8.5 t70 -76.26 -29.63 57.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.353 -0.842 . . . . 0.0 109.841 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.97 -31.38 59.0 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.405 0.622 . . . . 0.0 109.777 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 -46.2 55.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 110.068 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -66.26 -38.52 88.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.789 . . . . 0.0 110.028 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.72 -43.02 63.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.31 -0.868 . . . . 0.0 110.047 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -65.84 -37.02 85.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.457 -0.777 . . . . 0.0 109.995 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.82 -42.91 94.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -71.2 -35.44 71.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.823 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.93 76.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.404 -0.81 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.4 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.413 -0.804 . . . . 0.0 110.157 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -38.22 87.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -38.13 79.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.393 -0.817 . . . . 0.0 110.101 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -69.21 -35.16 75.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.398 -0.814 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.97 -40.18 83.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.406 -0.809 . . . . 0.0 110.141 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.22 72.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.323 -0.861 . . . . 0.0 110.139 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -66.68 -34.82 78.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.322 -0.861 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -58.75 -39.57 81.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.189 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.8 p -72.94 -39.56 66.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.335 -0.853 . . . . 0.0 110.121 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -72.34 -40.41 67.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.373 -0.829 . . . . 0.0 110.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.86 -39.17 93.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.449 -0.782 . . . . 0.0 110.164 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -58.28 6.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.344 -0.848 . . . . 0.0 109.941 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.7 m -60.48 -27.96 67.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 62.94 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.726 -0.609 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 174.57 73.88 0.05 OUTLIER Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.31 -44.12 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.317 -1.108 . . . . 0.0 110.509 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.7 p -61.12 -12.48 12.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.361 -0.837 . . . . 0.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.17 -6.34 10.88 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.689 -0.632 . . . . 0.0 110.111 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 m -129.96 -48.64 1.12 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.2 -0.937 . . . . 0.0 110.063 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -30.24 69.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.816 . . . . 0.0 110.168 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.24 -30.92 52.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.353 -0.842 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.48 -35.09 79.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.175 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.97 -37.23 61.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.92 97.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.392 -0.818 . . . . 0.0 110.149 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.46 -30.92 62.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -71.37 -35.1 70.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.391 -0.818 . . . . 0.0 110.185 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 m -74.78 -31.69 61.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.375 -0.828 . . . . 0.0 110.23 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.7 mt 52.36 79.73 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.265 -0.897 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.84 165.88 12.25 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -114.24 -28.48 7.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.411 -1.052 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.226 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.98 -41.52 1.34 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.834 1.439 . . . . 0.0 110.351 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.2 mtt 51.95 40.58 28.47 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.339 -0.85 . . . . 0.0 110.496 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.8 42.52 0.55 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.383 -0.823 . . . . 0.0 110.213 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -66.38 -31.62 72.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 110.136 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -52.95 -26.36 14.85 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.789 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -66.37 -51.15 60.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.73 -35.66 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -0.866 . . . . 0.0 110.055 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -44.81 70.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.44 -44.7 92.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.404 -0.81 . . . . 0.0 110.154 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HA ' ' OG ' ' A' ' 14' ' ' SER . 2.6 mtt180 -65.54 -30.31 71.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.454 -0.779 . . . . 0.0 110.135 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.35 -33.57 74.53 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.224 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -78.64 -32.45 47.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -60.49 -29.27 68.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.4 -0.813 . . . . 0.0 110.672 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.3 p90 -38.73 -30.75 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.545 -0.722 . . . . 0.0 111.168 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.903 ' CD2' HG22 ' A' ' 19' ' ' VAL . 1.6 tt -141.33 42.69 1.77 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.262 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.1 -46.99 99.7 Favored Pre-proline 0 N--CA 1.491 1.589 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.985 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -90.71 91.81 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.577 1.304 . . . . 0.0 109.584 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.903 HG22 ' CD2' ' A' ' 16' ' ' LEU . 62.7 t -76.03 -6.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.584 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.25 -28.15 1.81 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.713 -0.617 . . . . 0.0 110.756 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 13.3 t70 -76.17 -31.28 58.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.306 -0.871 . . . . 0.0 109.806 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -32.9 61.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.35 0.595 . . . . 0.0 109.878 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -76.81 -37.55 55.55 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.463 -0.773 . . . . 0.0 109.973 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -64.98 -45.33 86.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.039 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.56 -39.67 91.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -73.04 -31.61 64.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.12 -51.04 68.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -63.2 -44.83 94.25 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.301 -0.875 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.32 -31.93 71.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.421 -0.799 . . . . 0.0 110.214 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.51 74.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -32.67 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.414 -0.803 . . . . 0.0 110.135 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -71.41 -46.16 60.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.87 -40.74 98.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.282 -0.886 . . . . 0.0 110.045 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.98 -42.95 99.71 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.116 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.69 76.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -65.27 -42.67 92.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -60.26 -45.69 92.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.362 -0.836 . . . . 0.0 109.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 p -58.61 -39.64 81.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 109.914 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -66.53 -33.45 75.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -61.34 -46.8 88.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.397 -0.814 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -57.88 10.81 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.837 . . . . 0.0 109.849 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 p -55.93 -27.36 51.96 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.452 -0.78 . . . . 0.0 109.841 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.63 13.07 9.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.644 -0.66 . . . . 0.0 110.743 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 94.18 -32.99 5.51 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 8.9 t 69.59 -10.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 121.537 -0.978 . . . . 0.0 111.218 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m 56.89 35.48 26.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.96 -1.088 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -58.97 0.51 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.178 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 m -89.67 -12.04 40.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 110.474 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -34.32 72.09 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.12 -0.987 . . . . 0.0 110.316 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.61 -41.53 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.851 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -69.65 -41.74 75.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.304 -0.872 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -43.28 99.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.805 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.64 93.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.08 -30.91 62.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.184 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.68 -39.12 67.32 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -61.16 -49.81 75.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.395 -0.816 . . . . 0.0 110.335 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.12 146.44 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.341 -0.849 . . . . 0.0 110.217 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.96 -176.52 47.89 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.34 -57.25 0.49 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -1.085 . . . . 0.0 110.171 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.8 -27.4 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.801 1.422 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -158.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 t 53.27 32.22 13.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.368 -0.832 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.617 ' O ' HG12 ' A' ' 8' ' ' VAL . 38.9 p -72.35 -32.33 66.38 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.361 -0.837 . . . . 0.0 110.201 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -54.17 -25.92 25.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.431 -0.793 . . . . 0.0 110.059 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.94 -52.95 63.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.338 -0.852 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 5' ' ' THR . 7.3 p -71.02 -25.06 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.114 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -51.0 45.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 0.0 110.073 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.49 -42.72 99.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.345 -0.847 . . . . 0.0 110.077 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -30.15 71.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.083 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.59 -30.65 64.56 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -0.829 . . . . 0.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -76.18 -32.0 58.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.379 -0.826 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -30.15 45.44 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.318 -0.864 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 2.4 p90 -41.68 -30.21 0.22 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.504 -0.748 . . . . 0.0 110.857 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 11.4 tp -150.4 30.09 0.69 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.246 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.5 m -57.44 -42.69 97.17 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.045 -1.034 . . . . 0.0 110.059 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.7 Cg_endo -93.08 88.49 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.365 1.192 . . . . 0.0 109.8 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.69 -7.05 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.75 -28.68 2.62 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.809 -0.557 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 28.8 t0 -76.28 -29.76 57.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 109.918 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.21 -30.26 57.91 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.338 0.589 . . . . 0.0 109.851 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.38 -41.67 55.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.401 -0.812 . . . . 0.0 110.155 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -45.06 76.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.09 -36.03 74.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -74.53 -37.65 62.98 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.06 -38.88 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.347 -0.846 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -70.25 -40.97 74.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.352 -0.843 . . . . 0.0 110.142 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -61.79 -40.76 96.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.59 -50.76 33.81 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -0.902 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.64 85.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 110.216 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -67.36 -33.58 75.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.342 -0.849 . . . . 0.0 110.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -70.09 -37.54 75.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -67.08 -46.01 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.455 -0.778 . . . . 0.0 110.104 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.41 67.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.358 -0.839 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -61.42 -46.12 91.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -59.18 -37.22 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.295 -0.878 . . . . 0.0 110.014 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -61.85 -41.73 98.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.826 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.18 -48.36 81.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.412 -0.805 . . . . 0.0 109.828 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -29.84 63.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -57.91 9.27 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.321 -0.862 . . . . 0.0 110.112 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.638 HG22 HG22 ' A' ' 45' ' ' VAL . 32.0 m -54.33 -27.66 37.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.384 -0.822 . . . . 0.0 109.628 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.57 -157.46 0.34 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.571 -0.706 . . . . 0.0 110.349 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -74.86 -6.87 79.77 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 42' ' ' THR . 5.1 t 71.27 -12.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.512 -0.993 . . . . 0.0 111.328 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m 54.74 35.96 25.18 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.935 -1.103 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.608 HD12 HG12 ' A' ' 45' ' ' VAL . 1.1 mt -141.5 -52.21 0.44 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -0.832 . . . . 0.0 110.108 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.2 p -77.94 -50.63 11.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.373 -0.829 . . . . 0.0 110.147 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.0 -30.45 71.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.389 -0.82 . . . . 0.0 110.127 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -32.97 68.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.324 -0.86 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -45.7 86.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.102 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -70.9 -41.45 71.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.812 . . . . 0.0 110.103 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.32 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.95 -41.83 67.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -72.88 -38.34 67.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.841 . . . . 0.0 110.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -62.89 -39.06 93.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.829 . . . . 0.0 110.205 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 57' ' ' ILE . 82.5 mt 52.63 57.77 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.324 -0.86 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -106.51 -37.83 2.36 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.44 -88.11 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.557 -0.966 . . . . 0.0 110.647 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.6 m . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.062 -1.024 . . . . 0.0 110.165 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.17 -43.56 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.782 1.412 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.06 162.55 41.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 m -123.51 27.9 7.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 110.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -58.3 -31.45 67.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.435 -0.791 . . . . 0.0 110.423 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.74 -26.3 13.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.347 -0.846 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -68.74 -49.59 57.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.83 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.78 -27.97 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.327 -0.858 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -42.57 58.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.817 . . . . 0.0 110.228 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.56 -47.83 83.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.363 -0.836 . . . . 0.0 110.222 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -61.98 -41.36 97.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -68.9 -29.68 68.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -77.91 -31.96 51.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.493 -0.754 . . . . 0.0 110.352 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -52.65 -29.92 28.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.379 -0.826 . . . . 0.0 110.791 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.86 -30.49 0.26 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.346 -0.846 . . . . 0.0 110.389 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 26.6 tp -139.95 41.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.456 -0.778 . . . . 0.0 110.061 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -52.29 -47.36 92.86 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.402 -0.811 . . . . 0.0 109.866 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.6 Cg_endo -87.86 84.01 0.83 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.67 1.353 . . . . 0.0 109.234 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.36 -7.56 10.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.751 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.5 ptp180 -47.44 -29.08 2.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.63 -0.669 . . . . 0.0 110.589 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -76.44 -30.95 57.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.874 . . . . 0.0 109.728 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -32.45 67.1 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.346 0.593 . . . . 0.0 109.77 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.15 -43.53 57.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 m -62.83 -37.47 86.93 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 110.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.15 -44.96 82.66 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -69.6 -31.16 69.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.031 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -63.2 -49.39 74.41 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.827 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -42.2 85.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.171 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -66.63 -39.35 88.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 110.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.59 73.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.854 . . . . 0.0 110.072 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -63.31 -42.75 99.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.778 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -67.44 -37.13 82.54 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -0.859 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -71.65 -32.55 68.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.393 -0.817 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -42.06 81.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.812 . . . . 0.0 110.151 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.68 74.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.384 -0.822 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.68 80.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.378 -0.826 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -38.69 91.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.348 -0.845 . . . . 0.0 110.169 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -70.01 -41.67 74.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 110.138 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -71.0 -34.77 71.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.386 -0.821 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -38.64 89.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.367 -0.833 . . . . 0.0 110.3 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -73.96 -34.37 64.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.5 m -53.3 -31.92 46.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.32 -0.863 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 178.14 -178.42 0.25 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.483 -0.76 . . . . 0.0 110.02 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -83.04 -32.97 24.9 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG12 ' HB2' ' A' ' 47' ' ' LEU . 6.3 t 69.49 -11.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.643 -0.916 . . . . 0.0 111.442 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 45' ' ' VAL . 11.5 t 36.49 38.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.483 -0.761 . . . . 0.0 111.436 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.565 ' HB2' HG12 ' A' ' 45' ' ' VAL . 5.3 mt -139.99 -43.95 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -96.98 -27.09 14.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.77 -30.24 69.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.227 -0.92 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.26 -42.2 80.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.378 -0.826 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.54 -50.29 70.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 0.0 110.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 56' ' ' THR . 9.8 tt0 -61.85 -30.52 70.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.73 -52.38 63.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.216 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.866 . . . . 0.0 110.175 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -72.67 -53.05 12.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.842 . . . . 0.0 110.181 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 52' ' ' GLU . 80.9 p -60.65 -39.03 86.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.189 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.2 mt -82.29 78.32 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.313 -0.867 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.15 -128.62 0.47 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.08 174.03 13.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -1.067 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.198 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 -33.44 7.62 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.836 1.44 . . . . 0.0 110.454 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 53.07 -177.92 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.35 -0.844 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.66 58.65 4.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.212 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -63.77 -31.53 72.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.2 p -52.83 -26.25 13.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.837 . . . . 0.0 110.311 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -67.13 -51.5 53.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.99 -32.0 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.306 -0.871 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -70.95 -44.84 65.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.383 -0.823 . . . . 0.0 110.161 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.23 -31.71 72.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -71.18 -34.06 70.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -74.53 -29.9 61.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 110.169 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -32.05 58.18 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -0.79 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -29.96 57.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.35 -0.844 . . . . 0.0 110.745 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -41.4 -30.52 0.19 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.439 -0.788 . . . . 0.0 110.662 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.3 tp -143.25 40.24 1.46 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.477 -0.764 . . . . 0.0 109.891 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.536 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -52.63 -46.78 95.71 Favored Pre-proline 0 N--CA 1.49 1.553 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.89 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.2 Cg_endo -90.55 89.62 0.3 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.671 1.353 . . . . 0.0 109.418 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.35 -7.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.0 110.722 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 16.0 ptt85 -47.43 -28.14 2.0 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.7 t70 -75.51 -30.75 59.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 109.862 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -33.64 62.72 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.391 0.615 . . . . 0.0 109.761 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.72 -40.66 40.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.521 -0.737 . . . . 0.0 109.944 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 m -63.06 -39.47 94.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.403 -0.811 . . . . 0.0 110.048 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -38.49 72.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -0.841 . . . . 0.0 110.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -39.22 69.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.369 -0.832 . . . . 0.0 110.081 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.78 -48.73 73.44 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.365 -0.834 . . . . 0.0 110.142 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -40.04 91.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.11 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.47 79.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.407 -0.808 . . . . 0.0 110.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -48.53 49.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 110.14 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.78 99.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.403 -0.811 . . . . 0.0 110.227 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 t -62.54 -46.4 88.54 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 110.191 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -43.09 99.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.387 -0.82 . . . . 0.0 110.175 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -69.02 -46.25 68.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.359 -0.838 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.52 78.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.07 -46.47 51.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -40.3 64.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.403 -0.81 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.4 t -61.46 -52.36 64.86 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 110.343 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -40.6 85.2 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.3 -0.875 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HA ' HG11 ' A' ' 45' ' ' VAL . 2.5 ttt180 -69.76 -41.16 75.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.318 -0.864 . . . . 0.0 110.228 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -66.1 -49.65 66.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.405 -0.809 . . . . 0.0 110.521 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 43' ' ' GLN . 61.9 m -52.79 -59.47 4.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -0.828 . . . . 0.0 109.506 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' THR . 1.2 mt-30 170.65 -160.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.717 -0.614 . . . . 0.0 110.081 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.47 36.36 59.14 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG23 ' H ' ' A' ' 46' ' ' THR . 6.6 m -150.47 -50.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -1.131 . . . . 0.0 110.638 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.539 ' H ' HG23 ' A' ' 45' ' ' VAL . 65.1 p -60.32 -14.07 16.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.966 . . . . 0.0 109.755 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mp -117.14 -11.1 10.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.847 -0.533 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -122.48 -45.82 2.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.184 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.58 -30.6 61.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.47 -0.769 . . . . 0.0 110.359 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.88 -36.82 80.19 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.57 -34.06 74.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.348 -0.845 . . . . 0.0 110.201 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -71.71 -40.54 69.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.39 -0.819 . . . . 0.0 110.119 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.36 88.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.347 -0.846 . . . . 0.0 110.143 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.06 -33.34 65.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 110.133 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -62.71 -31.8 72.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.367 -0.833 . . . . 0.0 110.047 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -59.66 -31.62 69.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.1 mt 52.92 94.7 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.343 -0.848 . . . . 0.0 110.404 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.27 84.73 0.37 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -62.32 -73.09 0.11 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -1.093 . . . . 0.0 110.138 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.186 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.97 71.79 3.4 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.793 1.417 . . . . 0.0 110.443 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.2 mtm -105.94 85.63 2.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.374 -0.828 . . . . 0.0 110.171 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.25 35.73 0.38 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 8' ' ' VAL . 9.7 t -60.27 -31.47 70.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -52.82 -26.35 14.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.321 -0.862 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.57 -52.59 36.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.393 -0.817 . . . . 0.0 110.222 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 5' ' ' THR . 33.7 m -73.39 -27.11 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.844 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -42.29 59.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.45 -33.52 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -52.38 32.63 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.411 -0.806 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.65 70.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.272 -0.892 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.67 -32.13 67.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.281 -0.887 . . . . 0.0 110.463 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -30.15 63.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 110.686 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.2 p90 -44.02 -26.95 0.33 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.465 -0.772 . . . . 0.0 111.056 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' HG22 ' A' ' 19' ' ' VAL . 15.2 tp -132.99 33.0 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 ' HB ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -56.69 -47.15 99.51 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 109.808 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' A' ' 17' ' ' THR . 49.6 Cg_endo -92.54 89.06 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.434 1.229 . . . . 0.0 109.602 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.59 HG22 ' HG ' ' A' ' 16' ' ' LEU . 61.1 t -79.43 -7.92 10.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.409 -0.807 . . . . 0.0 110.709 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -47.58 -31.13 4.15 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.711 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -31.4 56.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.269 -0.894 . . . . 0.0 110.137 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -76.4 -31.01 57.71 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.232 0.539 . . . . 0.0 110.21 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -77.26 -53.4 7.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.407 -0.808 . . . . 0.0 110.159 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -60.11 -45.69 92.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.77 -41.79 98.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.816 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -74.51 -36.14 63.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.263 -0.898 . . . . 0.0 110.435 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.04 -49.15 47.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 110.397 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -38.32 86.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.885 . . . . 0.0 110.2 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -63.31 -53.68 48.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 110.179 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.99 89.94 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.206 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.8 tpt85 -73.83 -36.31 64.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.336 -0.853 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -68.05 -46.8 70.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -44.66 95.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.84 -30.39 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.815 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -63.52 -51.01 67.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.377 -0.827 . . . . 0.0 110.196 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -36.45 66.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -68.41 -40.31 81.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.41 -0.806 . . . . 0.0 110.117 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 m -73.1 -33.11 65.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.349 -0.845 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.564 ' HG3' HG22 ' A' ' 45' ' ' VAL . 4.5 tpt180 -66.24 -36.39 82.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.131 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.45 -51.22 17.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.403 -0.811 . . . . 0.0 110.121 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -58.33 7.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.863 . . . . 0.0 110.003 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -59.23 -27.54 65.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.445 -0.785 . . . . 0.0 109.66 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 61.7 -139.39 0.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.562 -0.711 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.09 27.37 38.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.564 HG22 ' HG3' ' A' ' 39' ' ' ARG . 7.1 t -78.17 -7.61 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.844 -0.798 . . . . 0.0 110.511 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 64.67 19.51 11.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.3 -35.92 2.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.391 -0.818 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -114.06 -37.21 4.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.75 -30.82 71.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -36.13 74.66 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -62.66 -49.49 74.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.325 -0.859 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.69 -29.43 69.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 57' ' ' ILE . . . -62.38 -53.58 52.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.368 -0.832 . . . . 0.0 110.127 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -34.27 75.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -61.39 -37.38 83.21 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.44 -0.788 . . . . 0.0 110.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m -73.86 -31.29 63.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.166 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 57' ' ' ILE . 6.5 tp -141.71 119.35 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.49 -27.7 7.49 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.31 -162.64 0.13 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.344 -1.092 . . . . 0.0 110.35 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.41 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.8 -44.06 0.73 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.839 1.441 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 52.29 -176.53 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.334 -0.853 . . . . 0.0 110.508 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -149.33 39.26 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.38 -0.825 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.1 p -62.75 -31.31 72.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 0.0 110.238 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 t -52.79 -26.22 13.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.397 -0.814 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.46 -52.96 21.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 5' ' ' THR . 35.9 m -67.12 -25.19 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.316 -0.865 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -44.97 76.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.344 -0.848 . . . . 0.0 109.904 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.69 -41.96 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -0.804 . . . . 0.0 109.847 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.8 71.86 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.343 -0.848 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -29.8 61.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.395 -0.816 . . . . 0.0 109.723 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.25 -31.99 70.9 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.434 ' HA ' HG23 ' A' ' 17' ' ' THR . 0.3 OUTLIER -53.8 -29.62 41.3 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.405 -0.809 . . . . 0.0 110.54 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.5 p90 -39.51 -31.55 0.1 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.437 -0.789 . . . . 0.0 110.759 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 28.0 tp -133.99 42.37 2.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 110.133 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -53.81 -47.13 97.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.751 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.7 Cg_endo -86.9 82.79 1.17 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.639 1.336 . . . . 0.0 109.234 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG22 ' HG ' ' A' ' 16' ' ' LEU . 60.6 t -74.21 -6.67 8.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.793 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.14 -28.09 1.67 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.763 -0.586 . . . . 0.0 110.775 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 27.2 t0 -71.88 -32.62 67.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.739 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.322 0.582 . . . . 0.0 109.921 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.58 69.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.457 -0.777 . . . . 0.0 110.011 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.1 p -74.44 -35.8 63.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.485 -0.76 . . . . 0.0 110.032 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.78 -47.71 83.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.433 -0.792 . . . . 0.0 109.979 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -67.75 -36.83 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.46 -0.775 . . . . 0.0 110.007 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.73 -47.31 54.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.124 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.22 -40.87 91.69 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.422 -0.799 . . . . 0.0 110.21 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -46.73 88.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.397 -0.815 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.14 70.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -71.7 -38.55 70.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -0.881 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -72.68 -34.11 66.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -73.3 -42.18 62.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -73.94 -38.86 64.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.275 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.98 59.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -62.18 -35.04 77.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.271 -0.893 . . . . 0.0 110.028 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -68.44 -39.08 81.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.43 -0.794 . . . . 0.0 110.225 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 p -65.64 -37.91 87.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.346 -0.846 . . . . 0.0 110.079 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.41 -53.0 61.33 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 110.178 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -60.95 -29.87 69.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.342 -0.849 . . . . 0.0 110.155 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -58.38 6.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.345 -0.847 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 m -57.14 -27.75 62.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.369 -0.832 . . . . 0.0 109.571 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.3 -162.14 0.25 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.502 -0.749 . . . . 0.0 110.325 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -79.52 -20.04 69.89 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.824 -1.311 . . . . 0.0 109.824 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 4.3 t 71.18 -12.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.59 -0.947 . . . . 0.0 111.309 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.4 p 45.47 29.39 0.6 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.203 -0.935 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 47' ' ' LEU . 76.4 mt -143.15 -60.92 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.168 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -79.65 -22.44 43.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.381 -0.825 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -58.22 -30.41 66.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -39.78 86.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.9 -53.94 22.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.63 -34.39 75.58 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.11 63.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.43 -0.794 . . . . 0.0 110.051 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -53.61 -38.07 63.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.0 110.23 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -32.89 66.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.813 . . . . 0.0 109.98 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 m -75.98 -42.17 49.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.3 128.21 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.866 . . . . 0.0 110.208 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.41 37.82 0.08 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 52.53 87.08 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -1.087 . . . . 0.0 110.488 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.15 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.92 -27.7 14.08 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.713 1.375 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.0 ttp -69.11 -29.43 67.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.34 -0.85 . . . . 0.0 110.239 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.66 28.17 8.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.352 -0.843 . . . . 0.0 110.295 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -62.21 -31.5 72.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.37 -0.831 . . . . 0.0 110.254 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -52.85 -26.43 14.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.463 -0.773 . . . . 0.0 110.247 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.29 -51.88 47.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.94 -39.89 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.346 -0.846 . . . . 0.0 110.35 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.13 59.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.13 -48.3 71.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -60.52 -36.97 79.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.359 -0.838 . . . . 0.0 110.212 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -67.29 -31.93 72.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.382 -0.823 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -32.38 45.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.458 -0.776 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -29.66 67.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.349 -0.844 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -40.2 -30.08 0.09 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.493 -0.754 . . . . 0.0 110.809 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.8 ' HG ' HG22 ' A' ' 19' ' ' VAL . 29.5 tp -148.08 43.18 1.05 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.49 -0.756 . . . . 0.0 109.768 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -54.7 -48.51 95.21 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.381 -0.824 . . . . 0.0 110.018 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.1 Cg_endo -92.48 92.66 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 123.475 1.25 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.8 HG22 ' HG ' ' A' ' 16' ' ' LEU . 60.0 t -86.39 -8.85 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 5.4 ptt-85 -48.41 -32.58 7.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.748 -0.595 . . . . 0.0 111.037 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 7.1 t0 -76.47 -37.49 56.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.19 -0.944 . . . . 0.0 110.276 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.8 mt-10 -76.45 -38.33 55.61 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.172 0.51 . . . . 0.0 110.27 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.27 -42.19 93.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.197 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -43.32 74.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.367 -0.833 . . . . 0.0 110.097 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.55 -41.11 66.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 110.036 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 m -61.68 -37.73 85.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -68.13 -47.22 68.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 0.0 109.996 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -71.85 -34.95 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.344 -0.847 . . . . 0.0 110.098 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -61.17 -51.32 69.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.875 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.67 96.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.1 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -38.27 73.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.342 -0.849 . . . . 0.0 110.079 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -73.7 -37.35 65.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.111 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -65.26 -35.29 80.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.83 -37.01 64.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 110.171 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.52 -51.15 59.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.86 78.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.414 -0.804 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.6 -40.81 63.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 m -61.5 -49.07 78.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -37.71 87.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -69.72 -41.33 75.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.035 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -58.27 7.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.45 -0.781 . . . . 0.0 110.001 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.6 p -56.34 -27.96 57.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.518 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.14 -163.33 0.13 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.691 -0.631 . . . . 0.0 110.457 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -81.35 -21.64 62.05 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 9.8 t 70.67 -12.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.613 -0.934 . . . . 0.0 111.364 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.3 m 54.12 26.7 6.83 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.853 -1.154 . . . . 0.0 110.405 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 46' ' ' THR . 1.8 mp -132.37 -45.58 0.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.362 -0.837 . . . . 0.0 110.124 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.6 m -81.41 -30.95 33.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.373 -0.829 . . . . 0.0 110.12 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -39.76 65.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 110.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -41.29 83.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.04 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.45 -36.3 82.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.398 -0.814 . . . . 0.0 110.059 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.53 -40.06 85.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.113 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.27 96.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.827 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.75 -30.77 68.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.787 . . . . 0.0 110.196 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -46.83 66.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.793 . . . . 0.0 110.185 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 m -66.34 -34.0 77.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.396 -0.815 . . . . 0.0 110.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 57' ' ' ILE . 51.0 mm -109.84 48.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.2 37.19 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -167.82 52.03 0.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -1.051 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.504 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.09 93.53 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.747 1.393 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 mtt 52.18 75.14 0.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.26 -0.9 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -113.66 27.46 9.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 0.0 110.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 8' ' ' VAL . 6.5 p -72.31 -31.81 66.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.376 -0.828 . . . . 0.0 110.058 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -55.78 -25.68 42.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 110.143 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.35 -52.94 9.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.339 -0.85 . . . . 0.0 110.551 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 5' ' ' THR . 34.8 m -63.11 -25.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.271 -0.893 . . . . 0.0 110.346 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -74.58 -48.41 26.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.282 -0.886 . . . . 0.0 110.167 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.07 -47.09 66.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -42.92 86.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -66.81 -31.98 72.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.49 46.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -0.836 . . . . 0.0 110.498 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.405 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -59.85 -29.72 68.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.437 -0.79 . . . . 0.0 110.873 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.3 p90 -43.51 -26.96 0.24 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.814 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.928 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -160.35 37.01 0.17 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.439 -0.788 . . . . 0.0 109.964 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.556 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.6 m -52.17 -41.95 83.53 Favored Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.493 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.6 Cg_endo -91.87 88.26 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.241 1.127 . . . . 0.0 109.589 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.928 HG22 ' CD2' ' A' ' 16' ' ' LEU . 49.5 t -78.33 -7.34 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.7 ptt180 -47.56 -29.69 3.03 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.668 -0.645 . . . . 0.0 110.692 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 15.2 t70 -76.69 -31.57 57.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.305 -0.872 . . . . 0.0 109.965 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -34.13 58.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.261 0.553 . . . . 0.0 110.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.29 -36.29 46.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.177 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 t -74.55 -41.52 60.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.297 -0.877 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.96 -36.98 67.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.839 . . . . 0.0 110.144 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -74.5 -39.13 62.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -66.71 -36.27 82.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.333 -0.855 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -73.11 -46.95 48.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.847 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -69.63 -43.34 72.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.05 77.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.853 . . . . 0.0 110.145 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -42.07 61.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.419 -0.801 . . . . 0.0 110.197 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -61.7 -41.46 97.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.61 71.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 110.189 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.71 64.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 0.0 110.21 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.72 82.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.41 -0.806 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 mtm-85 -73.27 -41.29 63.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -70.62 -42.76 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -60.87 -47.1 87.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.334 -0.854 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -71.27 -32.69 68.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.32 -0.862 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -72.77 -38.17 67.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 110.421 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -73.75 -27.45 61.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.366 -0.833 . . . . 0.0 110.386 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.4 m -53.16 -44.69 68.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.321 -0.862 . . . . 0.0 109.596 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.4 -159.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.436 -0.79 . . . . 0.0 110.014 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -87.89 -11.47 67.79 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 7.1 t 71.09 -13.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.564 -0.962 . . . . 0.0 111.431 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m 52.61 25.95 4.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.929 -1.107 . . . . 0.0 110.505 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 47' ' ' LEU . 1.1 mm? -110.54 -54.52 2.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -81.98 -28.95 32.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.212 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.12 -35.58 80.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.269 -0.894 . . . . 0.0 110.192 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -40.23 71.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.401 -0.812 . . . . 0.0 110.154 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.79 -47.41 66.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.866 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.13 -34.35 76.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.457 -0.777 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.44 73.7 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.8 -31.64 68.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -72.84 -33.73 66.35 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -72.9 -45.0 60.58 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -85.53 176.92 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.341 -0.849 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.81 179.78 6.04 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.47 -41.31 3.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -1.074 . . . . 0.0 110.198 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.168 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.34 63.54 3.58 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 O-C-N 123.802 1.422 . . . . 0.0 110.391 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.4 ttp -116.14 142.57 46.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t 52.49 49.67 19.92 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.384 -0.822 . . . . 0.0 110.442 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 8' ' ' VAL . 9.4 t -61.0 -31.64 71.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.376 -0.828 . . . . 0.0 110.276 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -52.85 -26.3 14.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.333 -0.854 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -73.16 -52.5 13.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 5' ' ' THR . 34.5 m -69.79 -25.48 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -74.4 -48.12 29.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.84 -43.04 94.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.355 -0.841 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -61.25 -41.12 96.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.394 -0.816 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -68.48 -30.29 69.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.424 -0.798 . . . . 0.0 110.184 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -32.42 46.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.414 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -59.4 -29.45 67.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.357 -0.839 . . . . 0.0 110.755 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.8 p90 -41.32 -28.88 0.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.458 -0.776 . . . . 0.0 110.424 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -159.8 39.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.591 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.2 m -54.57 -40.28 81.89 Favored Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.371 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.9 Cg_endo -92.82 94.75 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.398 1.21 . . . . 0.0 109.411 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.5 t -72.02 -8.72 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.387 -0.821 . . . . 0.0 110.873 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -47.48 -29.54 2.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.671 -0.643 . . . . 0.0 110.496 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.7 t0 -76.5 -32.6 58.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 109.736 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.55 -29.99 67.69 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.329 0.585 . . . . 0.0 109.775 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.88 -46.81 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.478 -0.764 . . . . 0.0 110.085 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 t -66.96 -44.25 81.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.047 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.61 -43.88 88.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.82 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.2 p -66.48 -32.08 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.836 . . . . 0.0 110.064 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.94 -45.24 90.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -71.94 -41.41 67.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -69.85 -47.52 62.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.118 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.28 85.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.333 -0.854 . . . . 0.0 110.143 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -64.69 -28.62 69.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.422 -0.799 . . . . 0.0 110.059 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 t -73.4 -34.52 65.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.332 -0.855 . . . . 0.0 110.071 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -36.8 65.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.331 -0.856 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.41 -37.7 65.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.415 -0.803 . . . . 0.0 110.123 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.96 87.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -65.6 -50.18 66.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -0.809 . . . . 0.0 110.189 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.63 -37.58 85.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.42 -0.8 . . . . 0.0 110.15 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -66.13 -49.2 68.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.313 -0.867 . . . . 0.0 110.146 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.75 -34.13 77.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -32.63 71.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.163 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -58.39 3.81 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.39 -0.819 . . . . 0.0 110.048 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 p -59.69 -27.77 66.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.81 . . . . 0.0 109.519 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.58 -160.13 0.29 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.548 -0.72 . . . . 0.0 110.314 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -83.96 -44.08 6.89 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 16.4 t 68.43 -10.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.581 -0.952 . . . . 0.0 111.436 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.6 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.2 m 59.36 34.32 22.77 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.95 -1.093 . . . . 0.0 110.241 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 46' ' ' THR . 1.1 mp -133.68 -63.68 0.74 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.035 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.4 p -62.76 -23.05 67.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.328 -0.857 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.75 -30.39 65.56 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.217 -0.927 . . . . 0.0 110.237 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.38 -36.75 66.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -75.4 -31.87 60.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.95 -48.05 26.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.95 89.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.818 . . . . 0.0 110.227 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.48 -31.86 62.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.311 -0.868 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -31.79 65.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -71.31 -31.75 67.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.391 -0.818 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.9 mm 52.66 94.28 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.24 67.21 1.2 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -19.18 60.79 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -1.117 . . . . 0.0 110.472 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.293 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.09 169.61 21.82 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.836 1.44 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -163.57 129.62 3.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.84 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.0 p 47.52 72.6 0.24 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.605 -0.684 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -57.66 -31.7 66.58 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.307 -0.87 . . . . 0.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m -53.01 -26.43 15.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.56 -42.49 58.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.76 -35.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 109.896 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -69.64 -47.91 61.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.815 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.67 -41.87 87.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.346 -0.847 . . . . 0.0 110.017 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.72 71.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.855 . . . . 0.0 109.904 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -67.71 -34.97 77.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.447 -0.783 . . . . 0.0 110.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -32.38 59.51 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.439 -0.788 . . . . 0.0 110.174 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.33 -29.08 68.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.457 -0.777 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -38.83 -30.19 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.549 -0.719 . . . . 0.0 111.384 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -137.86 38.58 2.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 110.651 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.558 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.9 -45.4 98.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.907 . . . . 0.0 109.87 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.3 Cg_endo -90.67 95.33 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.63 1.331 . . . . 0.0 109.073 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.602 HG22 ' CD2' ' A' ' 16' ' ' LEU . 60.2 t -70.18 -8.72 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.063 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 7.0 ptp180 -47.38 -28.64 2.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.571 -0.705 . . . . 0.0 110.469 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.5 t0 -76.15 -32.24 58.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.723 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.48 -31.67 68.88 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.39 0.614 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -46.33 51.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -62.39 -42.36 99.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 109.998 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -44.63 73.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.449 -0.782 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.4 t -62.94 -36.95 85.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.444 -0.785 . . . . 0.0 110.038 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -67.8 -33.97 75.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.322 -0.862 . . . . 0.0 110.021 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -65.24 -44.8 87.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.53 -42.08 95.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.797 . . . . 0.0 110.194 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.27 85.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.149 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -35.08 64.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -73.56 -42.26 61.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.328 -0.857 . . . . 0.0 110.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -39.19 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 110.147 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.92 -31.52 66.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.867 . . . . 0.0 110.154 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.05 87.76 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.133 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -73.24 -34.95 66.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.306 -0.871 . . . . 0.0 110.134 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -47.56 78.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 110.082 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -49.01 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.311 -0.868 . . . . 0.0 110.174 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -65.13 -32.77 74.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.445 -0.784 . . . . 0.0 110.101 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -70.5 -30.11 66.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.378 -0.826 . . . . 0.0 110.271 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -58.86 3.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.418 -0.801 . . . . 0.0 109.613 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 54.41 19.41 2.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.596 -0.69 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.12 65.75 2.56 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 42' ' ' THR . 61.9 t -71.81 -10.05 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.314 -1.11 . . . . 0.0 110.462 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.849 ' O ' HD12 ' A' ' 47' ' ' LEU . 4.1 m 58.52 22.12 9.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.202 -0.936 . . . . 0.0 110.008 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.849 HD12 ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -145.82 -43.59 0.21 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.516 -0.74 . . . . 0.0 109.872 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 m -99.2 -35.97 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.228 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -59.61 -39.19 83.43 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.28 -0.887 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.49 -41.55 69.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.56 -45.28 83.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.426 -0.796 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.26 -42.15 98.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.381 -0.824 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.19 90.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.6 -38.13 62.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -64.7 -31.87 73.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.7 m -62.15 -32.61 73.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.212 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.41 -41.58 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.303 -0.873 . . . . 0.0 110.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.58 -166.82 40.01 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 32.73 5.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.444 -1.033 . . . . 0.0 110.265 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.176 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.13 149.1 45.58 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.857 1.451 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptp -119.27 -163.04 0.95 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 t 53.64 49.35 19.57 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.348 -0.845 . . . . 0.0 110.394 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.2 m -67.12 -31.68 72.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.445 -0.784 . . . . 0.0 110.088 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.92 -26.25 14.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.825 . . . . 0.0 110.288 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.4 -52.7 12.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.78 -30.03 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.355 -0.841 . . . . 0.0 110.086 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -73.6 -45.64 51.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.86 -52.89 63.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.7 -31.37 71.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.464 -0.772 . . . . 0.0 110.316 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 52.7 ttm-85 -66.46 -33.23 75.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.348 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -79.08 -35.59 42.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -29.46 67.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.854 . . . . 0.0 110.766 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -29.28 0.07 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.475 -0.765 . . . . 0.0 111.215 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.736 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -144.12 39.04 1.32 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.927 . . . . 0.0 110.294 179.304 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.91 -47.87 93.66 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.009 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.0 Cg_endo -92.09 94.08 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.54 1.284 . . . . 0.0 109.296 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.736 HG22 ' CD2' ' A' ' 16' ' ' LEU . 58.3 t -71.58 -8.6 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 110.828 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptt180 -47.5 -28.23 2.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.702 -0.623 . . . . 0.0 110.657 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.8 t70 -76.26 -29.45 57.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 109.961 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.3 mt-10 -76.15 -31.91 58.81 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.343 0.592 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.12 -33.79 50.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.476 -0.765 . . . . 0.0 110.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -70.17 -46.51 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.2 -41.76 89.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.432 -0.793 . . . . 0.0 110.071 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -63.4 -41.45 98.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.011 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -71.62 -38.05 70.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.407 -0.808 . . . . 0.0 110.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -42.52 91.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.804 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -41.62 90.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.062 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.29 -41.92 72.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 0.0 110.061 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -39.36 94.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.445 -0.784 . . . . 0.0 110.061 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -68.75 -36.13 77.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.201 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -46.45 87.69 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.61 91.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.64 76.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.098 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -67.8 -44.02 78.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.98 -37.57 87.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -62.01 -47.16 86.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.814 . . . . 0.0 110.086 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -62.45 -36.69 83.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -47.71 38.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 110.124 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -58.04 6.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.284 -0.885 . . . . 0.0 110.162 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.683 HG22 HG23 ' A' ' 45' ' ' VAL . 6.9 m -55.76 -27.92 53.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.327 -0.858 . . . . 0.0 109.714 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 64.68 11.03 6.44 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.622 -0.674 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.515 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.36 -44.2 2.93 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.683 HG23 HG22 ' A' ' 42' ' ' THR . 11.4 t 69.39 -10.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.313 0 O-C-N 121.596 -0.943 . . . . 0.0 111.263 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.451 ' O ' HD12 ' A' ' 47' ' ' LEU . 5.9 m 58.24 29.37 17.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.008 -1.058 . . . . 0.0 110.287 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 46' ' ' THR . 1.2 mp -127.9 -41.35 1.64 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.033 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -71.61 -43.25 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.075 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.99 -35.97 69.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.368 -0.832 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.85 -33.81 76.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.291 -0.88 . . . . 0.0 110.147 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.94 -38.82 89.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.413 -0.804 . . . . 0.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.15 -34.94 77.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.33 92.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.8 -32.98 74.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.139 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -69.79 -33.32 72.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.455 -0.778 . . . . 0.0 110.225 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m -60.2 -31.11 69.84 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.367 -0.833 . . . . 0.0 110.19 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 57' ' ' ILE . 1.4 tp -130.99 62.8 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.13 -175.81 14.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -110.13 28.01 9.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.391 -1.064 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.462 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.19 148.25 43.83 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.807 1.425 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -80.12 -4.4 52.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' MET . 1.9 t 66.93 -63.7 0.26 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.523 -0.735 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 8' ' ' VAL . 60.6 m -56.25 -32.64 64.68 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.19 -0.944 . . . . 0.0 110.678 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -53.35 -26.3 18.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.273 -0.892 . . . . 0.0 110.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.67 -52.99 12.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 5' ' ' THR . 33.1 m -68.49 -25.57 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -66.7 -51.15 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.34 -42.78 99.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.321 -0.862 . . . . 0.0 109.995 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -63.07 -33.67 75.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 ttm180 -70.37 -29.87 66.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.372 -0.83 . . . . 0.0 110.088 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -75.0 -32.29 61.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.56 67.07 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.364 -0.835 . . . . 0.0 110.506 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.07 -28.1 0.16 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.432 -0.793 . . . . 0.0 110.906 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.9 tp -142.47 39.02 1.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 0.0 110.088 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.65 -46.9 98.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.271 -0.893 . . . . 0.0 109.707 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -91.54 93.98 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.673 1.354 . . . . 0.0 109.153 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.15 -7.56 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 0.0 110.848 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 3.9 ptm180 -47.29 -28.25 1.9 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.685 -0.635 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 t70 -70.34 -39.64 74.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.437 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.498 0.666 . . . . 0.0 109.357 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.04 -30.85 69.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -62.56 -50.87 69.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 0.0 109.917 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -48.25 81.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 0.0 109.944 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -63.73 -35.43 80.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 109.724 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -70.09 -38.15 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 0.0 109.947 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.06 85.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.335 -0.853 . . . . 0.0 110.018 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.86 -43.76 98.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 0.0 110.024 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.342 -0.848 . . . . 0.0 110.191 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.321 -0.862 . . . . 0.0 110.127 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.3 p -60.4 -46.19 90.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -61.11 -47.71 85.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.134 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -32.6 73.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.36 -0.838 . . . . 0.0 110.021 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.99 95.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.407 -0.808 . . . . 0.0 109.994 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -62.0 -53.82 50.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.037 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -58.76 -36.14 73.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.793 . . . . 0.0 110.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -68.4 -40.45 81.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.928 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -36.06 74.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.417 -0.802 . . . . 0.0 110.008 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -50.51 48.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 0.0 109.999 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -55.01 -27.32 43.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.451 -0.78 . . . . 0.0 110.461 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -53.19 -33.28 52.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.399 -0.813 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 176.63 -30.26 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.448 -0.782 . . . . 0.0 110.407 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.48 -26.93 7.7 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 47' ' ' LEU . 17.5 m -55.07 129.79 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.214 -1.168 . . . . 0.0 109.952 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 46' ' ' THR . 6.6 t -61.94 71.38 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.405 0.621 . . . . 0.0 110.209 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -154.73 -44.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -106.31 -33.76 7.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.511 -0.743 . . . . 0.0 110.067 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -57.25 -30.52 64.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.337 -0.852 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.92 -30.89 64.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.397 -0.814 . . . . 0.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.22 -53.65 54.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 0.0 110.121 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.81 -34.4 77.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.423 -0.798 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.3 90.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -33.63 69.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.0 110.012 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -72.67 -31.64 65.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.68 -46.11 87.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.341 -0.849 . . . . 0.0 110.248 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.788 HD13 ' N ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -84.65 132.03 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.788 ' N ' HD13 ' A' ' 57' ' ' ILE . . . 165.54 -85.51 0.1 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.84 33.56 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.333 -1.099 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.42 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.02 80.18 1.88 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.862 1.454 . . . . 0.0 110.432 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.3 ttp -146.31 52.0 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -147.25 78.96 1.49 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.644 ' O ' HG12 ' A' ' 8' ' ' VAL . 6.9 m -71.05 -31.72 68.23 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.293 -0.88 . . . . 0.0 110.134 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -52.85 -26.29 14.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.0 110.362 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -62.69 -52.76 62.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.477 -0.764 . . . . 0.0 110.327 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 5' ' ' THR . 7.1 p -70.32 -25.17 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.347 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CD ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -72.61 -50.88 22.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 110.194 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.43 -44.34 62.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -35.34 76.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.347 -0.846 . . . . 0.0 110.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -74.82 -30.32 61.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.109 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.0 72.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.854 . . . . 0.0 110.199 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -29.33 67.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.4 -0.812 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.1 p90 -41.66 -27.94 0.12 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.521 -0.737 . . . . 0.0 110.919 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 26.1 tp -139.39 39.48 2.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.3 -0.875 . . . . 0.0 110.318 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.552 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.4 -45.7 98.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.617 179.245 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.3 Cg_endo -89.56 91.5 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.661 1.348 . . . . 0.0 108.867 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.99 -7.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 111.022 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 14.5 ptt180 -47.24 -29.02 2.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.4 t70 -76.46 -32.39 58.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.907 . . . . 0.0 109.711 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -31.2 68.37 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.381 0.61 . . . . 0.0 109.675 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.19 -45.12 50.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.419 -0.8 . . . . 0.0 109.91 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.93 74.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.343 -0.848 . . . . 0.0 109.998 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.35 -48.12 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.003 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -70.86 -36.45 72.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 110.033 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.26 -36.32 74.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 0.0 110.091 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -69.39 -40.73 77.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.85 . . . . 0.0 110.096 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.95 -43.77 98.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.079 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.88 70.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.018 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.366 -0.834 . . . . 0.0 110.114 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -47.85 82.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.858 . . . . 0.0 110.099 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -43.01 99.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.324 -0.86 . . . . 0.0 109.993 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -62.89 -41.84 99.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.505 -0.747 . . . . 0.0 110.084 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.88 -36.14 77.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.409 -0.807 . . . . 0.0 110.144 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -67.14 -38.23 85.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.331 -0.856 . . . . 0.0 110.116 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -32.12 64.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.827 . . . . 0.0 110.017 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.9 p -71.28 -39.52 71.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.807 . . . . 0.0 110.152 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -69.16 -37.24 78.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 110.078 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.21 75.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 0.0 110.055 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -58.25 8.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 110.051 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' GLY . 7.1 p -58.17 -27.77 64.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 0.0 109.7 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.74 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.619 -0.675 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -159.83 -65.27 0.01 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 10.0 t 68.7 -11.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.659 -0.907 . . . . 0.0 111.413 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.696 ' O ' HD12 ' A' ' 47' ' ' LEU . 17.8 p 47.99 27.73 1.27 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.173 -0.954 . . . . 0.0 110.75 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -140.42 -52.66 0.49 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.378 -0.826 . . . . 0.0 110.121 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -71.1 -24.81 62.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.81 -33.69 74.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.33 -0.856 . . . . 0.0 110.27 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.35 -39.56 71.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.396 -0.815 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.79 70.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.852 . . . . 0.0 110.203 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.68 -50.49 72.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.89 88.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.375 -0.828 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.67 -31.98 72.97 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.176 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -71.01 -50.59 32.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.85 . . . . 0.0 110.188 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p -73.17 -38.12 66.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.45 -0.781 . . . . 0.0 110.152 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' ILE . 15.6 tt -166.06 114.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.388 -0.82 . . . . 0.0 110.169 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -134.96 -142.16 4.54 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -143.82 40.71 1.41 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.372 -1.075 . . . . 0.0 110.201 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.228 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.88 154.64 53.51 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.778 1.409 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 mtt -89.9 90.51 8.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.1 t -132.92 49.15 2.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.445 -0.784 . . . . 0.0 110.252 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 8' ' ' VAL . 56.7 m -68.15 -31.69 71.43 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.328 -0.858 . . . . 0.0 110.179 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -53.53 -26.1 19.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -0.877 . . . . 0.0 110.207 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.36 -52.83 14.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.443 -0.786 . . . . 0.0 110.33 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 5' ' ' THR . 35.6 m -65.57 -25.3 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 110.342 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -73.68 -39.21 64.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 0.0 110.039 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -44.68 67.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.061 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -61.5 -43.26 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.379 -0.826 . . . . 0.0 110.217 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -29.74 69.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -32.09 51.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.448 -0.782 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.14 62.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.425 -0.797 . . . . 0.0 110.693 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.7 p90 -43.4 -28.34 0.34 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.426 -0.796 . . . . 0.0 110.499 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.848 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -144.44 38.85 1.27 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.441 -0.787 . . . . 0.0 109.804 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -51.43 -48.19 86.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.208 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.6 Cg_endo -89.94 89.1 0.35 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.658 1.346 . . . . 0.0 109.257 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.848 HG22 ' CD2' ' A' ' 16' ' ' LEU . 48.2 t -73.91 -8.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.784 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.7 ptt85 -47.54 -28.85 2.45 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.738 -0.601 . . . . 0.0 110.626 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -76.57 -29.3 56.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.333 -0.855 . . . . 0.0 109.903 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.37 -31.24 60.42 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.285 0.564 . . . . 0.0 109.869 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -40.95 36.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.465 -0.772 . . . . 0.0 110.097 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -44.71 71.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.359 -0.838 . . . . 0.0 110.186 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -39.3 88.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -71.71 -32.52 67.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.061 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -71.54 -39.38 70.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.421 -0.799 . . . . 0.0 110.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -71.99 -35.22 69.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.84 -43.25 72.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.388 -0.82 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.63 96.36 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 0.0 110.086 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.84 -32.44 63.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.19 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 t -71.42 -41.04 70.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.42 -0.8 . . . . 0.0 110.151 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -34.2 74.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.44 -0.788 . . . . 0.0 110.134 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -73.85 -38.71 64.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.072 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.18 -46.65 64.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.321 -0.862 . . . . 0.0 110.094 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -62.92 -38.52 91.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.65 -41.46 96.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -61.91 -38.78 89.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.14 -40.63 96.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.383 -0.823 . . . . 0.0 110.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.59 -39.85 64.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.334 -0.854 . . . . 0.0 110.234 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -62.83 -27.2 69.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 110.352 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.1 m -53.11 -40.11 63.92 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 109.817 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 177.59 -39.12 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.494 -0.754 . . . . 0.0 110.105 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' C ' HG23 ' A' ' 45' ' ' VAL . . . 108.47 -33.43 6.23 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' C ' HG22 ' A' ' 46' ' ' THR . 3.8 t 69.57 -10.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 121.698 -0.884 . . . . 0.0 111.391 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.505 HG22 ' C ' ' A' ' 45' ' ' VAL . 9.0 t 36.29 47.83 0.52 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.418 -0.801 . . . . 0.0 111.112 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -154.81 -40.67 0.09 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.706 -0.621 . . . . 0.0 109.847 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.873 ' N ' HD23 ' A' ' 47' ' ' LEU . 18.5 m -80.77 -47.59 13.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.276 -0.89 . . . . 0.0 110.19 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -30.54 61.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.0 -44.7 72.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.435 -0.791 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.5 -45.18 95.31 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.211 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -42.09 96.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.335 -0.853 . . . . 0.0 110.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -32.53 69.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.8 -41.03 92.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.364 -0.835 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -72.79 -36.99 67.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.883 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -69.66 -33.35 72.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.357 -0.84 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt 52.56 92.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.394 -0.816 . . . . 0.0 110.37 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.36 172.68 15.75 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.15 43.28 0.14 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.304 -1.115 . . . . 0.0 110.214 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.245 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.94 169.82 21.23 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 O-C-N 123.75 1.395 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 mtt -102.69 -174.9 2.67 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.362 -0.836 . . . . 0.0 110.235 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.8 m -135.01 22.76 3.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 8' ' ' VAL . 32.4 p -72.24 -31.88 66.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 110.159 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.9 p -53.08 -26.3 15.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.361 -0.837 . . . . 0.0 110.279 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.19 -52.67 62.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.434 -0.791 . . . . 0.0 110.216 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 5' ' ' THR . 34.7 m -72.85 -25.46 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.335 -0.853 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -74.59 -39.75 62.03 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.257 -0.902 . . . . 0.0 110.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.58 -38.01 65.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.205 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -42.77 94.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -0.814 . . . . 0.0 110.039 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -29.71 60.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.167 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -32.13 72.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -30.02 34.68 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.325 -0.859 . . . . 0.0 110.549 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 1.9 p90 -41.64 -30.7 0.24 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.405 -0.81 . . . . 0.0 110.586 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 16' ' ' LEU . 29.0 tp -141.33 40.11 1.75 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -52.96 -46.52 97.37 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.959 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.9 Cg_endo -89.76 88.42 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.601 1.316 . . . . 0.0 109.275 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.03 -6.84 9.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.728 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.33 -28.67 2.11 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.663 -0.648 . . . . 0.0 110.599 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 t0 -76.41 -31.53 57.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.803 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.89 -30.78 64.22 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.354 0.597 . . . . 0.0 109.804 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.8 -44.17 50.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -62.34 -39.13 92.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.052 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.36 -39.84 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.806 . . . . 0.0 110.004 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 m -71.36 -34.61 70.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.361 -0.837 . . . . 0.0 110.128 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -70.13 -44.19 69.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 110.033 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -43.17 83.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.299 -0.876 . . . . 0.0 110.093 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -62.59 -43.65 98.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.41 -0.806 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.7 70.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.62 -47.62 82.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.443 -0.786 . . . . 0.0 110.093 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -72.73 -36.44 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.089 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.18 -38.86 89.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.375 -0.828 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.54 -42.96 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -65.58 -43.23 90.39 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -0.839 . . . . 0.0 110.061 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -34.63 74.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.021 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 m -65.81 -45.47 82.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 110.138 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -33.35 75.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.841 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -52.26 23.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.149 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -58.26 6.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.824 HG22 ' CG2' ' A' ' 45' ' ' VAL . 1.4 m -62.99 -27.84 69.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 109.448 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 63.63 14.43 8.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.578 -0.701 . . . . 0.0 110.904 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.508 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.99 -43.47 2.84 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.824 ' CG2' HG22 ' A' ' 42' ' ' THR . 6.4 t 71.57 -11.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 O-C-N 121.534 -0.98 . . . . 0.0 111.203 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.778 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.3 m 55.95 36.72 27.86 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.964 -1.085 . . . . 0.0 110.416 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 46' ' ' THR . 1.5 mp -136.38 -58.5 0.74 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.149 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -98.83 -27.48 13.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.193 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.45 -30.55 70.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.304 -0.872 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 46' ' ' THR . 3.1 mp -59.09 -39.6 82.69 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.412 -0.805 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -64.2 -41.44 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.216 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -68.87 -42.91 76.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.33 86.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.08 -33.83 76.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.449 -0.782 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -31.87 65.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.205 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.708 ' HB ' HD12 ' A' ' 57' ' ' ILE . 68.4 m -65.72 -41.72 91.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.214 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.708 HD12 ' HB ' ' A' ' 56' ' ' THR . 4.8 mp -117.2 -62.82 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.354 -0.841 . . . . 0.0 110.139 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.73 114.33 1.1 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.53 174.9 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.387 -1.067 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.489 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 4' ' ' SER . 46.9 Cg_endo -73.69 -36.61 3.6 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 O-C-N 123.768 1.404 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mmt 54.83 -87.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 0.0 110.584 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' PRO . 1.2 t 52.62 48.7 21.98 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.102 -0.999 . . . . 0.0 110.509 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -60.41 -31.63 70.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.393 -0.817 . . . . 0.0 110.217 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -53.81 -26.62 24.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.391 -0.818 . . . . 0.0 110.202 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -50.33 13.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.29 -31.77 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.329 -0.857 . . . . 0.0 110.279 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -73.03 -51.08 19.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.86 . . . . 0.0 110.187 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -37.65 84.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.833 . . . . 0.0 110.096 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -69.6 -30.41 68.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -31.12 66.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.194 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -78.61 -32.33 47.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.319 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -29.67 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.378 -0.826 . . . . 0.0 110.625 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -40.56 -29.69 0.1 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.486 -0.759 . . . . 0.0 111.144 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.649 HD21 HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -143.63 38.43 1.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 0.0 110.168 179.444 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.12 -47.17 96.83 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.435 -0.791 . . . . 0.0 110.18 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -92.14 94.04 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.552 1.29 . . . . 0.0 109.396 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.649 HG22 HD21 ' A' ' 16' ' ' LEU . 55.3 t -72.66 -8.74 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.701 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.0 ptm180 -47.96 -28.42 2.73 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.692 -0.63 . . . . 0.0 110.51 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.2 t70 -76.23 -29.93 57.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.847 . . . . 0.0 109.836 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -74.3 -32.06 62.73 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.354 0.597 . . . . 0.0 109.69 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -74.51 -39.04 62.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.517 -0.74 . . . . 0.0 109.964 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -43.93 87.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.385 -0.822 . . . . 0.0 110.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.99 -44.84 95.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.387 -0.821 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -66.28 -41.24 90.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 110.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.72 -40.92 97.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.395 -0.816 . . . . 0.0 110.099 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -32.05 73.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 110.167 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -44.17 81.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -0.851 . . . . 0.0 110.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.45 76.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -62.44 -37.82 87.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.16 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -71.68 -33.57 68.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -45.01 95.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.397 -0.815 . . . . 0.0 110.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -73.49 -37.05 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.793 . . . . 0.0 110.144 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -45.49 66.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.29 -0.881 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.44 -34.89 78.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.51 -50.43 67.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.168 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -58.29 -38.75 77.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.381 -0.824 . . . . 0.0 110.195 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.55 -40.56 97.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -73.67 -43.71 58.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.397 -0.815 . . . . 0.0 110.204 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -60.01 -27.23 66.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.0 110.358 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -53.08 -35.01 59.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.323 -0.86 . . . . 0.0 109.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.84 176.92 0.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.476 -0.765 . . . . 0.0 110.1 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.35 37.01 93.89 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 46' ' ' THR . 3.6 m -138.58 -47.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -1.092 . . . . 0.0 110.378 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.452 ' H ' HG23 ' A' ' 45' ' ' VAL . 1.7 t -52.35 -20.61 2.87 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.447 -0.783 . . . . 0.0 110.636 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.66 -11.42 12.97 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.691 -0.63 . . . . 0.0 110.723 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 m -124.46 -45.52 1.94 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.094 -1.003 . . . . 0.0 110.364 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' H ' ' HA ' ' A' ' 45' ' ' VAL . 10.5 t0 -58.01 -30.77 66.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 110.213 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.77 -31.01 71.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 110.044 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -61.06 -51.93 67.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 110.095 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.53 -29.4 70.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.425 -0.797 . . . . 0.0 110.024 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.795 ' O ' HG22 ' A' ' 57' ' ' ILE . . . -70.51 -45.96 64.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.35 -0.844 . . . . 0.0 110.212 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.82 -31.5 72.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.148 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -72.8 -35.57 67.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -0.834 . . . . 0.0 110.155 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -75.57 -33.78 60.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.316 -0.865 . . . . 0.0 110.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 53' ' ' ALA . 5.3 tt -99.69 37.6 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 0.0 110.152 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.6 -31.15 5.3 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.08 158.31 29.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -1.119 . . . . 0.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.183 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.92 64.6 4.07 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.825 1.434 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 ttt 52.92 73.65 0.34 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.371 -0.831 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 t -97.06 35.53 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 110.145 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -72.25 -31.59 65.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -52.78 -26.56 14.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.372 -0.83 . . . . 0.0 110.207 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -75.23 -48.89 21.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.368 -0.832 . . . . 0.0 110.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.29 -28.26 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -50.96 51.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.401 -0.812 . . . . 0.0 110.144 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -44.6 96.99 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.315 -0.865 . . . . 0.0 110.076 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -30.33 68.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 110.156 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.3 mmm180 -68.14 -30.3 69.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.897 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.86 -41.55 29.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.402 -0.811 . . . . 0.0 110.369 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.71 66.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -41.11 -28.99 0.1 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.58 -0.7 . . . . 0.0 110.853 -179.455 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 19' ' ' VAL . 1.4 tp -141.46 40.2 1.73 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.321 -0.862 . . . . 0.0 110.243 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.547 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -51.52 -46.26 90.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.877 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.4 Cg_endo -88.29 89.11 0.49 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.62 1.326 . . . . 0.0 108.863 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG22 HD23 ' A' ' 16' ' ' LEU . 62.0 t -71.04 -8.39 11.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.007 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.2 ptm180 -47.35 -29.12 2.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.607 -0.683 . . . . 0.0 110.432 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.1 t70 -76.41 -32.91 58.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.95 -31.32 70.11 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.33 0.586 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.39 -43.7 48.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.557 -0.714 . . . . 0.0 109.963 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -67.68 -41.32 83.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 109.962 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.38 -47.71 80.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.432 -0.793 . . . . 0.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -63.24 -35.53 80.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 0.0 109.984 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -71.74 -35.78 70.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.804 . . . . 0.0 110.126 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -70.63 -39.63 73.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 110.047 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -37.67 87.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.388 -0.82 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.56 71.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.034 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -63.77 -44.14 94.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.381 -0.824 . . . . 0.0 110.023 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -40.55 97.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.84 . . . . 0.0 110.027 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.75 98.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.112 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -44.55 64.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.336 -0.853 . . . . 0.0 110.136 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.66 93.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -62.35 -49.03 77.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.205 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.66 -38.77 87.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.155 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.41 -0.806 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -62.57 -34.01 76.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -73.62 -35.27 65.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -73.92 -27.03 60.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -52.75 -30.45 32.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.281 -0.887 . . . . 0.0 109.919 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -175.41 -157.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 110.27 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -81.41 -35.12 24.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.531 ' O ' HD23 ' A' ' 47' ' ' LEU . 11.0 t 69.32 -11.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.611 -0.935 . . . . 0.0 111.368 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.8 p 48.76 27.25 1.49 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.197 -0.94 . . . . 0.0 110.642 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 45' ' ' VAL . 1.2 mm? -116.0 -66.91 1.04 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.394 -0.816 . . . . 0.0 110.091 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -81.74 -13.44 57.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.427 -0.796 . . . . 0.0 110.433 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.87 -30.26 61.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.55 -31.01 44.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.39 -0.818 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.91 -42.01 67.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 110.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.65 -40.79 88.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.429 -0.795 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.66 96.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -67.45 -31.19 71.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.274 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.24 -35.78 76.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.383 -0.823 . . . . 0.0 110.17 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -61.89 -31.19 71.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.22 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mt 53.16 88.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.365 -0.834 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.75 -58.7 0.06 OUTLIER Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 151.67 51.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.388 -1.066 . . . . 0.0 110.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.454 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.17 133.89 20.25 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.79 1.416 . . . . 0.0 110.456 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.62 62.12 6.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 t -83.28 80.67 9.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.221 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG12 ' A' ' 8' ' ' VAL . 52.3 m -70.4 -31.65 68.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.128 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -53.56 -26.07 19.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 110.325 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.05 -52.17 66.5 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.361 -0.837 . . . . 0.0 110.44 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 5' ' ' THR . 8.2 p -75.23 -26.01 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.464 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -50.84 16.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.262 -0.899 . . . . 0.0 110.021 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -63.01 -50.93 68.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.449 -0.782 . . . . 0.0 110.173 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -38.86 77.1 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 4.3 tpp180 -63.99 -32.48 74.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.308 -0.87 . . . . 0.0 110.124 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -32.54 47.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.72 -29.12 67.47 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.325 -0.859 . . . . 0.0 110.712 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -38.42 -30.77 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.561 -0.712 . . . . 0.0 110.822 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD22 HG22 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -149.29 46.55 0.98 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.38 -0.825 . . . . 0.0 109.724 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -51.85 -46.78 92.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.711 -0.618 . . . . 0.0 110.344 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -85.95 82.57 1.44 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.561 1.295 . . . . 0.0 109.285 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.511 HG22 HD22 ' A' ' 16' ' ' LEU . 46.8 t -79.67 -6.61 9.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.748 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 5.3 ptp180 -47.38 -29.09 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.751 -0.593 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -76.61 -32.66 58.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 110.066 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.41 -30.96 57.66 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -35.28 55.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.423 -0.798 . . . . 0.0 110.176 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -39.54 67.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.348 -0.845 . . . . 0.0 110.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -72.14 -35.58 69.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 110.15 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -74.59 -38.65 62.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.398 -0.814 . . . . 0.0 110.17 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.17 -46.77 87.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -71.17 -31.87 68.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.359 -0.838 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -62.75 -41.57 99.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.92 68.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -0.836 . . . . 0.0 110.157 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -73.28 -41.87 63.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 0.0 110.184 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.8 m -63.63 -39.84 95.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.287 -0.883 . . . . 0.0 110.162 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -66.91 -43.9 82.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.379 -0.826 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.73 -42.56 61.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.0 110.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.99 85.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -38.06 66.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.363 -0.836 . . . . 0.0 110.201 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -73.27 -39.33 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.363 -0.836 . . . . 0.0 110.173 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -52.58 63.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.381 -0.824 . . . . 0.0 110.193 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.63 73.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.53 -43.19 60.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -58.48 4.62 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.454 -0.779 . . . . 0.0 110.117 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -65.08 -27.95 69.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 109.473 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.43 178.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.394 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.6 -31.43 50.24 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 t 57.65 -123.96 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -1.081 . . . . 0.0 109.568 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 46' ' ' THR . 5.8 t -94.67 27.66 2.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.935 -1.103 . . . . 0.0 108.688 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 47' ' ' LEU . 8.0 tp -107.52 -42.04 4.89 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.377 0.608 . . . . 0.0 109.74 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 m -104.26 -24.09 13.16 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.655 -0.653 . . . . 0.0 109.969 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.04 -36.55 59.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.452 -0.78 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.6 -40.33 94.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.384 -0.822 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.02 -42.92 99.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.393 -0.817 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.65 -38.35 73.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.166 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.48 69.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 0.0 110.206 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.75 -49.35 66.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.174 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.83 -54.55 40.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.3 p -61.0 -43.97 98.11 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -121.79 122.79 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.315 -0.866 . . . . 0.0 110.183 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.98 169.8 19.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -84.0 128.69 34.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.385 -1.068 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.477 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.243 0.544 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -52.84 -26.28 14.11 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.277 -0.889 . . . . 0.0 110.39 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.65 -52.77 10.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.368 -0.833 . . . . 0.0 110.352 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.27 -25.84 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.324 -0.86 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -68.64 -50.79 48.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.353 -0.842 . . . . 0.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.28 -44.09 84.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.325 -0.859 . . . . 0.0 110.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -33.59 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.142 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 7.8 ttt180 -75.07 -29.62 60.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.36 -0.837 . . . . 0.0 110.372 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -32.49 57.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.457 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.81 67.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.413 -0.804 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.12 -28.07 0.16 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.479 -0.763 . . . . 0.0 110.963 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -143.57 38.0 1.36 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.323 -0.86 . . . . 0.0 110.236 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.72 -48.46 90.78 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.909 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.5 Cg_endo -91.93 93.82 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.558 1.294 . . . . 0.0 109.377 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.733 HG22 HD21 ' A' ' 16' ' ' LEU . 61.7 t -70.98 -9.18 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 110.866 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.52 -29.92 3.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.682 -0.636 . . . . 0.0 110.582 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 11.4 t70 -76.6 -32.63 58.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 109.882 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.36 -30.98 70.05 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.356 0.598 . . . . 0.0 109.715 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.36 -46.65 26.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.525 -0.734 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 m -68.9 -39.19 79.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.15 -41.29 97.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.5 p -71.41 -34.7 70.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.471 -0.768 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.91 -46.79 56.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.15 -35.83 79.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.377 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -43.5 72.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 110.249 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.27 73.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.35 -0.844 . . . . 0.0 110.319 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 4.6 ttt-85 -73.77 -40.3 63.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.343 -0.848 . . . . 0.0 110.241 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -75.12 -36.79 61.61 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.378 -0.826 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -47.95 74.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.0 110.296 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.99 -33.2 63.74 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.428 -0.795 . . . . 0.0 110.259 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -67.69 -52.18 40.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.348 -0.845 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.58 -34.89 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.24 -35.34 77.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.371 -0.831 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.5 p -73.14 -37.53 66.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.37 -0.831 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -66.4 -55.36 16.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.232 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -29.99 71.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.33 -0.856 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 110.31 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.225 0.535 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -42.61 99.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.324 -0.86 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.07 -44.9 71.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.443 -0.786 . . . . 0.0 110.163 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.84 -40.34 95.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.323 -0.861 . . . . 0.0 110.06 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.91 78.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.81 . . . . 0.0 110.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.44 -37.68 63.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.183 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -70.33 -42.59 71.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.322 -0.861 . . . . 0.0 110.154 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.384 -0.822 . . . . 0.0 110.063 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 8' ' ' VAL . 46.7 m . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -52.9 -26.32 14.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.465 -0.772 . . . . 0.0 110.337 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.66 -52.95 15.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.285 -0.884 . . . . 0.0 110.197 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 5' ' ' THR . 9.2 p -68.0 -25.39 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -46.51 64.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.064 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -62.64 -47.99 81.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.422 -0.799 . . . . 0.0 110.08 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -57.52 -39.56 76.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.87 -33.94 62.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.402 -0.811 . . . . 0.0 109.982 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.25 -31.95 70.69 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.488 -0.757 . . . . 0.0 110.168 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.402 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.9 OUTLIER -51.31 -29.3 14.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.414 -0.804 . . . . 0.0 110.622 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.5 -29.47 0.16 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 111.171 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.9 tp -115.53 28.38 8.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.627 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.603 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 88.6 m -57.11 -41.31 90.54 Favored Pre-proline 0 N--CA 1.487 1.411 0 O-C-N 120.957 -1.09 . . . . 0.0 109.885 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.5 Cg_endo -89.32 89.41 0.39 Allowed 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.426 1.224 . . . . 0.0 109.213 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.53 -6.75 8.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.879 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 6.2 ptt180 -47.39 -28.35 2.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.735 -0.603 . . . . 0.0 110.666 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 8.5 t70 -76.26 -29.63 57.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.353 -0.842 . . . . 0.0 109.841 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.97 -31.38 59.0 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.405 0.622 . . . . 0.0 109.777 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 -46.2 55.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 110.068 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -66.26 -38.52 88.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.789 . . . . 0.0 110.028 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.72 -43.02 63.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.31 -0.868 . . . . 0.0 110.047 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -65.84 -37.02 85.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.457 -0.777 . . . . 0.0 109.995 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.82 -42.91 94.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -71.2 -35.44 71.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.823 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.93 76.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.404 -0.81 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.4 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.413 -0.804 . . . . 0.0 110.157 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -38.22 87.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -38.13 79.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.393 -0.817 . . . . 0.0 110.101 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -69.21 -35.16 75.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.398 -0.814 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.97 -40.18 83.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.406 -0.809 . . . . 0.0 110.141 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.22 72.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.323 -0.861 . . . . 0.0 110.139 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -66.68 -34.82 78.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.322 -0.861 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -58.75 -39.57 81.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.189 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.8 p -72.94 -39.56 66.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.335 -0.853 . . . . 0.0 110.121 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -72.34 -40.41 67.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.373 -0.829 . . . . 0.0 110.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.86 -39.17 93.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.449 -0.782 . . . . 0.0 110.164 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.344 -0.848 . . . . 0.0 109.941 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.185 0.516 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.24 -30.92 52.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.353 -0.842 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.48 -35.09 79.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.175 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.97 -37.23 61.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.92 97.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.392 -0.818 . . . . 0.0 110.149 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.46 -30.92 62.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -71.37 -35.1 70.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.391 -0.818 . . . . 0.0 110.185 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.375 -0.828 . . . . 0.0 110.23 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.19 0.519 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -52.95 -26.36 14.85 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.789 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -66.37 -51.15 60.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.73 -35.66 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -0.866 . . . . 0.0 110.055 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -44.81 70.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.44 -44.7 92.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.404 -0.81 . . . . 0.0 110.154 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HA ' ' OG ' ' A' ' 14' ' ' SER . 2.6 mtt180 -65.54 -30.31 71.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.454 -0.779 . . . . 0.0 110.135 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.35 -33.57 74.53 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.224 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -78.64 -32.45 47.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -60.49 -29.27 68.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.4 -0.813 . . . . 0.0 110.672 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.3 p90 -38.73 -30.75 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.545 -0.722 . . . . 0.0 111.168 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.903 ' CD2' HG22 ' A' ' 19' ' ' VAL . 1.6 tt -141.33 42.69 1.77 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.262 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.1 -46.99 99.7 Favored Pre-proline 0 N--CA 1.491 1.589 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.985 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -90.71 91.81 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.577 1.304 . . . . 0.0 109.584 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.903 HG22 ' CD2' ' A' ' 16' ' ' LEU . 62.7 t -76.03 -6.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.584 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.25 -28.15 1.81 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.713 -0.617 . . . . 0.0 110.756 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 13.3 t70 -76.17 -31.28 58.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.306 -0.871 . . . . 0.0 109.806 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -32.9 61.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.35 0.595 . . . . 0.0 109.878 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -76.81 -37.55 55.55 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.463 -0.773 . . . . 0.0 109.973 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -64.98 -45.33 86.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.039 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.56 -39.67 91.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -73.04 -31.61 64.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.12 -51.04 68.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -63.2 -44.83 94.25 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.301 -0.875 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.32 -31.93 71.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.421 -0.799 . . . . 0.0 110.214 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.51 74.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -32.67 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.414 -0.803 . . . . 0.0 110.135 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -71.41 -46.16 60.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.87 -40.74 98.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.282 -0.886 . . . . 0.0 110.045 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.98 -42.95 99.71 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.116 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.69 76.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -65.27 -42.67 92.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -60.26 -45.69 92.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.362 -0.836 . . . . 0.0 109.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 p -58.61 -39.64 81.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 109.914 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -66.53 -33.45 75.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -61.34 -46.8 88.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.397 -0.814 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.837 . . . . 0.0 109.849 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.61 -41.53 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.851 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -69.65 -41.74 75.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.304 -0.872 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -43.28 99.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.805 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.64 93.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.08 -30.91 62.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.184 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.68 -39.12 67.32 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.395 -0.816 . . . . 0.0 110.335 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.617 ' O ' HG12 ' A' ' 8' ' ' VAL . 38.9 p . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.113 0.482 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -54.17 -25.92 25.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.431 -0.793 . . . . 0.0 110.059 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.94 -52.95 63.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.338 -0.852 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 5' ' ' THR . 7.3 p -71.02 -25.06 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.114 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -51.0 45.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 0.0 110.073 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.49 -42.72 99.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.345 -0.847 . . . . 0.0 110.077 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -30.15 71.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.083 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.59 -30.65 64.56 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -0.829 . . . . 0.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -76.18 -32.0 58.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.379 -0.826 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -30.15 45.44 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.318 -0.864 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 2.4 p90 -41.68 -30.21 0.22 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.504 -0.748 . . . . 0.0 110.857 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 11.4 tp -150.4 30.09 0.69 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.246 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.5 m -57.44 -42.69 97.17 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.045 -1.034 . . . . 0.0 110.059 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.7 Cg_endo -93.08 88.49 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.365 1.192 . . . . 0.0 109.8 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.69 -7.05 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.75 -28.68 2.62 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.809 -0.557 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 28.8 t0 -76.28 -29.76 57.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 109.918 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.21 -30.26 57.91 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.338 0.589 . . . . 0.0 109.851 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.38 -41.67 55.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.401 -0.812 . . . . 0.0 110.155 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -45.06 76.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.09 -36.03 74.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -74.53 -37.65 62.98 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.06 -38.88 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.347 -0.846 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -70.25 -40.97 74.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.352 -0.843 . . . . 0.0 110.142 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -61.79 -40.76 96.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.59 -50.76 33.81 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -0.902 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.64 85.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 110.216 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -67.36 -33.58 75.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.342 -0.849 . . . . 0.0 110.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -70.09 -37.54 75.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -67.08 -46.01 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.455 -0.778 . . . . 0.0 110.104 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.41 67.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.358 -0.839 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -61.42 -46.12 91.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -59.18 -37.22 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.295 -0.878 . . . . 0.0 110.014 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -61.85 -41.73 98.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.826 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.18 -48.36 81.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.412 -0.805 . . . . 0.0 109.828 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -29.84 63.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.321 -0.862 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -32.97 68.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.324 -0.86 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -45.7 86.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.102 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -70.9 -41.45 71.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.812 . . . . 0.0 110.103 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.32 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.95 -41.83 67.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -72.88 -38.34 67.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.841 . . . . 0.0 110.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.829 . . . . 0.0 110.205 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.168 0.509 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.74 -26.3 13.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.347 -0.846 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -68.74 -49.59 57.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.83 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.78 -27.97 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.327 -0.858 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -42.57 58.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.817 . . . . 0.0 110.228 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.56 -47.83 83.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.363 -0.836 . . . . 0.0 110.222 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -61.98 -41.36 97.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -68.9 -29.68 68.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -77.91 -31.96 51.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.493 -0.754 . . . . 0.0 110.352 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -52.65 -29.92 28.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.379 -0.826 . . . . 0.0 110.791 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.86 -30.49 0.26 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.346 -0.846 . . . . 0.0 110.389 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 26.6 tp -139.95 41.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.456 -0.778 . . . . 0.0 110.061 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -52.29 -47.36 92.86 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.402 -0.811 . . . . 0.0 109.866 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.6 Cg_endo -87.86 84.01 0.83 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.67 1.353 . . . . 0.0 109.234 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.36 -7.56 10.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.751 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.5 ptp180 -47.44 -29.08 2.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.63 -0.669 . . . . 0.0 110.589 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -76.44 -30.95 57.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.874 . . . . 0.0 109.728 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -32.45 67.1 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.346 0.593 . . . . 0.0 109.77 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.15 -43.53 57.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 m -62.83 -37.47 86.93 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 110.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.15 -44.96 82.66 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -69.6 -31.16 69.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.031 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -63.2 -49.39 74.41 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.827 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -42.2 85.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.171 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -66.63 -39.35 88.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 110.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.59 73.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.854 . . . . 0.0 110.072 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -63.31 -42.75 99.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.778 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -67.44 -37.13 82.54 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -0.859 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -71.65 -32.55 68.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.393 -0.817 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -42.06 81.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.812 . . . . 0.0 110.151 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.68 74.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.384 -0.822 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.68 80.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.378 -0.826 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -38.69 91.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.348 -0.845 . . . . 0.0 110.169 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -70.01 -41.67 74.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 110.138 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -71.0 -34.77 71.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.386 -0.821 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -38.64 89.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.367 -0.833 . . . . 0.0 110.3 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 110.377 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.202 0.525 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.26 -42.2 80.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.378 -0.826 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.54 -50.29 70.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 0.0 110.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 56' ' ' THR . 9.8 tt0 -61.85 -30.52 70.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.73 -52.38 63.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.216 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.866 . . . . 0.0 110.175 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -72.67 -53.05 12.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.842 . . . . 0.0 110.181 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 52' ' ' GLU . 80.9 p . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.189 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.198 0.523 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.2 p -52.83 -26.25 13.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.837 . . . . 0.0 110.311 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -67.13 -51.5 53.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.99 -32.0 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.306 -0.871 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -70.95 -44.84 65.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.383 -0.823 . . . . 0.0 110.161 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.23 -31.71 72.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -71.18 -34.06 70.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -74.53 -29.9 61.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 110.169 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -32.05 58.18 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -0.79 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -29.96 57.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.35 -0.844 . . . . 0.0 110.745 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -41.4 -30.52 0.19 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.439 -0.788 . . . . 0.0 110.662 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.3 tp -143.25 40.24 1.46 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.477 -0.764 . . . . 0.0 109.891 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.536 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -52.63 -46.78 95.71 Favored Pre-proline 0 N--CA 1.49 1.553 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.89 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.2 Cg_endo -90.55 89.62 0.3 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.671 1.353 . . . . 0.0 109.418 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.35 -7.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.0 110.722 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 16.0 ptt85 -47.43 -28.14 2.0 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.7 t70 -75.51 -30.75 59.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 109.862 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -33.64 62.72 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.391 0.615 . . . . 0.0 109.761 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.72 -40.66 40.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.521 -0.737 . . . . 0.0 109.944 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 m -63.06 -39.47 94.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.403 -0.811 . . . . 0.0 110.048 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -38.49 72.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -0.841 . . . . 0.0 110.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -39.22 69.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.369 -0.832 . . . . 0.0 110.081 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.78 -48.73 73.44 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.365 -0.834 . . . . 0.0 110.142 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -40.04 91.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.11 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.47 79.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.407 -0.808 . . . . 0.0 110.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -48.53 49.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 110.14 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.78 99.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.403 -0.811 . . . . 0.0 110.227 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 t -62.54 -46.4 88.54 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 110.191 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -43.09 99.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.387 -0.82 . . . . 0.0 110.175 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -69.02 -46.25 68.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.359 -0.838 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.52 78.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.07 -46.47 51.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -40.3 64.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.403 -0.81 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.4 t -61.46 -52.36 64.86 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 110.343 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -40.6 85.2 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.3 -0.875 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.76 -41.16 75.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.318 -0.864 . . . . 0.0 110.228 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.405 -0.809 . . . . 0.0 110.521 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.212 0.529 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.88 -36.82 80.19 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.57 -34.06 74.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.348 -0.845 . . . . 0.0 110.201 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -71.71 -40.54 69.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.39 -0.819 . . . . 0.0 110.119 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.36 88.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.347 -0.846 . . . . 0.0 110.143 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.06 -33.34 65.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 110.133 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -62.71 -31.8 72.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.367 -0.833 . . . . 0.0 110.047 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.279 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 8' ' ' VAL . 9.7 t . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.246 0.546 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -52.82 -26.35 14.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.321 -0.862 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.57 -52.59 36.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.393 -0.817 . . . . 0.0 110.222 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 5' ' ' THR . 33.7 m -73.39 -27.11 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.844 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -42.29 59.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.45 -33.52 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -52.38 32.63 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.411 -0.806 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.65 70.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.272 -0.892 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.67 -32.13 67.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.281 -0.887 . . . . 0.0 110.463 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -30.15 63.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 110.686 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.2 p90 -44.02 -26.95 0.33 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.465 -0.772 . . . . 0.0 111.056 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' HG22 ' A' ' 19' ' ' VAL . 15.2 tp -132.99 33.0 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.531 ' HB ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -56.69 -47.15 99.51 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 109.808 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' A' ' 17' ' ' THR . 49.6 Cg_endo -92.54 89.06 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.434 1.229 . . . . 0.0 109.602 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.59 HG22 ' HG ' ' A' ' 16' ' ' LEU . 61.1 t -79.43 -7.92 10.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.409 -0.807 . . . . 0.0 110.709 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -47.58 -31.13 4.15 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.711 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -31.4 56.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.269 -0.894 . . . . 0.0 110.137 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -76.4 -31.01 57.71 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.232 0.539 . . . . 0.0 110.21 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -77.26 -53.4 7.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.407 -0.808 . . . . 0.0 110.159 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -60.11 -45.69 92.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.77 -41.79 98.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.816 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -74.51 -36.14 63.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.263 -0.898 . . . . 0.0 110.435 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.04 -49.15 47.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 110.397 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -38.32 86.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.885 . . . . 0.0 110.2 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -63.31 -53.68 48.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 110.179 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.99 89.94 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.206 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.8 tpt85 -73.83 -36.31 64.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.336 -0.853 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -68.05 -46.8 70.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -44.66 95.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.84 -30.39 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.815 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -63.52 -51.01 67.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.377 -0.827 . . . . 0.0 110.196 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -36.45 66.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -68.41 -40.31 81.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.41 -0.806 . . . . 0.0 110.117 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 m -73.1 -33.11 65.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.349 -0.845 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -66.24 -36.39 82.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.131 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.45 -51.22 17.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.403 -0.811 . . . . 0.0 110.121 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.863 . . . . 0.0 110.003 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.171 0.51 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -36.13 74.66 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -62.66 -49.49 74.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.325 -0.859 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.69 -29.43 69.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.58 52.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.368 -0.832 . . . . 0.0 110.127 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -34.27 75.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -61.39 -37.38 83.21 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.44 -0.788 . . . . 0.0 110.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.166 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.1 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.189 0.519 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 t -52.79 -26.22 13.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.397 -0.814 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.46 -52.96 21.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 5' ' ' THR . 35.9 m -67.12 -25.19 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.316 -0.865 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -44.97 76.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.344 -0.848 . . . . 0.0 109.904 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.69 -41.96 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -0.804 . . . . 0.0 109.847 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.8 71.86 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.343 -0.848 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -29.8 61.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.395 -0.816 . . . . 0.0 109.723 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.25 -31.99 70.9 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.434 ' HA ' HG23 ' A' ' 17' ' ' THR . 0.3 OUTLIER -53.8 -29.62 41.3 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.405 -0.809 . . . . 0.0 110.54 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.5 p90 -39.51 -31.55 0.1 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.437 -0.789 . . . . 0.0 110.759 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 28.0 tp -133.99 42.37 2.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 110.133 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -53.81 -47.13 97.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.751 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.7 Cg_endo -86.9 82.79 1.17 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.639 1.336 . . . . 0.0 109.234 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG22 ' HG ' ' A' ' 16' ' ' LEU . 60.6 t -74.21 -6.67 8.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.793 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.14 -28.09 1.67 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.763 -0.586 . . . . 0.0 110.775 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 27.2 t0 -71.88 -32.62 67.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.739 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.322 0.582 . . . . 0.0 109.921 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.58 69.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.457 -0.777 . . . . 0.0 110.011 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.1 p -74.44 -35.8 63.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.485 -0.76 . . . . 0.0 110.032 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.78 -47.71 83.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.433 -0.792 . . . . 0.0 109.979 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -67.75 -36.83 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.46 -0.775 . . . . 0.0 110.007 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.73 -47.31 54.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.124 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.22 -40.87 91.69 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.422 -0.799 . . . . 0.0 110.21 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -46.73 88.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.397 -0.815 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.14 70.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -71.7 -38.55 70.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -0.881 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -72.68 -34.11 66.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -73.3 -42.18 62.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -73.94 -38.86 64.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.275 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.98 59.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -62.18 -35.04 77.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.271 -0.893 . . . . 0.0 110.028 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -68.44 -39.08 81.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.43 -0.794 . . . . 0.0 110.225 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 p -65.64 -37.91 87.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.346 -0.846 . . . . 0.0 110.079 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.41 -53.0 61.33 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 110.178 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -60.95 -29.87 69.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.342 -0.849 . . . . 0.0 110.155 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.345 -0.847 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.221 0.534 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -39.78 86.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.9 -53.94 22.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.63 -34.39 75.58 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.11 63.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.43 -0.794 . . . . 0.0 110.051 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -53.61 -38.07 63.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.0 110.23 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -32.89 66.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.813 . . . . 0.0 109.98 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.216 0.532 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -52.85 -26.43 14.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.463 -0.773 . . . . 0.0 110.247 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.29 -51.88 47.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.94 -39.89 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.346 -0.846 . . . . 0.0 110.35 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.13 59.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.13 -48.3 71.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -60.52 -36.97 79.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.359 -0.838 . . . . 0.0 110.212 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -67.29 -31.93 72.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.382 -0.823 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -32.38 45.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.458 -0.776 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -29.66 67.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.349 -0.844 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -40.2 -30.08 0.09 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.493 -0.754 . . . . 0.0 110.809 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.8 ' HG ' HG22 ' A' ' 19' ' ' VAL . 29.5 tp -148.08 43.18 1.05 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.49 -0.756 . . . . 0.0 109.768 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -54.7 -48.51 95.21 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.381 -0.824 . . . . 0.0 110.018 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.1 Cg_endo -92.48 92.66 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 123.475 1.25 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.8 HG22 ' HG ' ' A' ' 16' ' ' LEU . 60.0 t -86.39 -8.85 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 5.4 ptt-85 -48.41 -32.58 7.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.748 -0.595 . . . . 0.0 111.037 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 7.1 t0 -76.47 -37.49 56.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.19 -0.944 . . . . 0.0 110.276 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.8 mt-10 -76.45 -38.33 55.61 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.172 0.51 . . . . 0.0 110.27 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.27 -42.19 93.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.197 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -43.32 74.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.367 -0.833 . . . . 0.0 110.097 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.55 -41.11 66.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 110.036 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 m -61.68 -37.73 85.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -68.13 -47.22 68.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 0.0 109.996 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -71.85 -34.95 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.344 -0.847 . . . . 0.0 110.098 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -61.17 -51.32 69.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.875 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.67 96.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.1 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -38.27 73.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.342 -0.849 . . . . 0.0 110.079 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -73.7 -37.35 65.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.111 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -65.26 -35.29 80.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.83 -37.01 64.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 110.171 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.52 -51.15 59.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.86 78.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.414 -0.804 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.6 -40.81 63.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 m -61.5 -49.07 78.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -37.71 87.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -69.72 -41.33 75.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.035 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.45 -0.781 . . . . 0.0 110.001 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.26 0.552 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -41.29 83.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.04 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.45 -36.3 82.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.398 -0.814 . . . . 0.0 110.059 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.53 -40.06 85.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.113 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.27 96.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.827 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.75 -30.77 68.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.787 . . . . 0.0 110.196 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -46.83 66.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.793 . . . . 0.0 110.185 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 m . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.396 -0.815 . . . . 0.0 110.111 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 8' ' ' VAL . 6.5 p . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -55.78 -25.68 42.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 110.143 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.35 -52.94 9.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.339 -0.85 . . . . 0.0 110.551 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 5' ' ' THR . 34.8 m -63.11 -25.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.271 -0.893 . . . . 0.0 110.346 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -74.58 -48.41 26.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.282 -0.886 . . . . 0.0 110.167 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.07 -47.09 66.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -42.92 86.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -66.81 -31.98 72.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.49 46.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -0.836 . . . . 0.0 110.498 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.405 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -59.85 -29.72 68.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.437 -0.79 . . . . 0.0 110.873 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.3 p90 -43.51 -26.96 0.24 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.814 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.928 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -160.35 37.01 0.17 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.439 -0.788 . . . . 0.0 109.964 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.556 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.6 m -52.17 -41.95 83.53 Favored Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.493 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.6 Cg_endo -91.87 88.26 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.241 1.127 . . . . 0.0 109.589 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.928 HG22 ' CD2' ' A' ' 16' ' ' LEU . 49.5 t -78.33 -7.34 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.7 ptt180 -47.56 -29.69 3.03 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.668 -0.645 . . . . 0.0 110.692 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 15.2 t70 -76.69 -31.57 57.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.305 -0.872 . . . . 0.0 109.965 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -34.13 58.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.261 0.553 . . . . 0.0 110.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.29 -36.29 46.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.177 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 t -74.55 -41.52 60.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.297 -0.877 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.96 -36.98 67.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.839 . . . . 0.0 110.144 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -74.5 -39.13 62.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -66.71 -36.27 82.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.333 -0.855 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -73.11 -46.95 48.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.847 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -69.63 -43.34 72.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.05 77.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.853 . . . . 0.0 110.145 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -42.07 61.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.419 -0.801 . . . . 0.0 110.197 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -61.7 -41.46 97.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.61 71.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 110.189 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.71 64.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 0.0 110.21 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.72 82.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.41 -0.806 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 mtm-85 -73.27 -41.29 63.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -70.62 -42.76 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -60.87 -47.1 87.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.334 -0.854 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -71.27 -32.69 68.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.32 -0.862 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -72.77 -38.17 67.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 110.421 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.366 -0.833 . . . . 0.0 110.386 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.168 0.509 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -40.23 71.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.401 -0.812 . . . . 0.0 110.154 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.79 -47.41 66.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.866 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.13 -34.35 76.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.457 -0.777 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.44 73.7 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.8 -31.64 68.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -72.84 -33.73 66.35 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.143 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 8' ' ' VAL . 9.4 t . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -52.85 -26.3 14.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.333 -0.854 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -73.16 -52.5 13.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 5' ' ' THR . 34.5 m -69.79 -25.48 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -74.4 -48.12 29.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.84 -43.04 94.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.355 -0.841 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -61.25 -41.12 96.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.394 -0.816 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -68.48 -30.29 69.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.424 -0.798 . . . . 0.0 110.184 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -32.42 46.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.414 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -59.4 -29.45 67.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.357 -0.839 . . . . 0.0 110.755 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.8 p90 -41.32 -28.88 0.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.458 -0.776 . . . . 0.0 110.424 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -159.8 39.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.591 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.2 m -54.57 -40.28 81.89 Favored Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.371 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.9 Cg_endo -92.82 94.75 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.398 1.21 . . . . 0.0 109.411 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.5 t -72.02 -8.72 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.387 -0.821 . . . . 0.0 110.873 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -47.48 -29.54 2.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.671 -0.643 . . . . 0.0 110.496 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.7 t0 -76.5 -32.6 58.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 109.736 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.55 -29.99 67.69 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.329 0.585 . . . . 0.0 109.775 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.88 -46.81 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.478 -0.764 . . . . 0.0 110.085 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 t -66.96 -44.25 81.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.047 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.61 -43.88 88.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.82 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.2 p -66.48 -32.08 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.836 . . . . 0.0 110.064 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.94 -45.24 90.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -71.94 -41.41 67.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -69.85 -47.52 62.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.118 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.28 85.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.333 -0.854 . . . . 0.0 110.143 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -64.69 -28.62 69.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.422 -0.799 . . . . 0.0 110.059 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 t -73.4 -34.52 65.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.332 -0.855 . . . . 0.0 110.071 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -36.8 65.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.331 -0.856 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.41 -37.7 65.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.415 -0.803 . . . . 0.0 110.123 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.96 87.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -65.6 -50.18 66.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -0.809 . . . . 0.0 110.189 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.63 -37.58 85.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.42 -0.8 . . . . 0.0 110.15 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -66.13 -49.2 68.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.313 -0.867 . . . . 0.0 110.146 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.75 -34.13 77.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -32.63 71.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.163 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.39 -0.819 . . . . 0.0 110.048 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.139 0.495 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.38 -36.75 66.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -75.4 -31.87 60.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.95 -48.05 26.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.95 89.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.818 . . . . 0.0 110.227 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.48 -31.86 62.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.311 -0.868 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -31.79 65.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.391 -0.818 . . . . 0.0 110.356 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.273 0.559 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m -53.01 -26.43 15.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.56 -42.49 58.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.76 -35.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 109.896 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -69.64 -47.91 61.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.815 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.67 -41.87 87.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.346 -0.847 . . . . 0.0 110.017 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.72 71.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.855 . . . . 0.0 109.904 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -67.71 -34.97 77.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.447 -0.783 . . . . 0.0 110.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -32.38 59.51 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.439 -0.788 . . . . 0.0 110.174 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.33 -29.08 68.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.457 -0.777 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -38.83 -30.19 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.549 -0.719 . . . . 0.0 111.384 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -137.86 38.58 2.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 110.651 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.558 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.9 -45.4 98.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.907 . . . . 0.0 109.87 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.3 Cg_endo -90.67 95.33 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.63 1.331 . . . . 0.0 109.073 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.602 HG22 ' CD2' ' A' ' 16' ' ' LEU . 60.2 t -70.18 -8.72 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.063 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 7.0 ptp180 -47.38 -28.64 2.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.571 -0.705 . . . . 0.0 110.469 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.5 t0 -76.15 -32.24 58.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.723 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.48 -31.67 68.88 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.39 0.614 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -46.33 51.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -62.39 -42.36 99.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 109.998 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -44.63 73.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.449 -0.782 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.4 t -62.94 -36.95 85.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.444 -0.785 . . . . 0.0 110.038 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -67.8 -33.97 75.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.322 -0.862 . . . . 0.0 110.021 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -65.24 -44.8 87.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.53 -42.08 95.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.797 . . . . 0.0 110.194 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.27 85.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.149 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -35.08 64.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -73.56 -42.26 61.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.328 -0.857 . . . . 0.0 110.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -39.19 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 110.147 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.92 -31.52 66.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.867 . . . . 0.0 110.154 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.05 87.76 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.133 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -73.24 -34.95 66.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.306 -0.871 . . . . 0.0 110.134 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -47.56 78.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 110.082 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -49.01 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.311 -0.868 . . . . 0.0 110.174 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -65.13 -32.77 74.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.445 -0.784 . . . . 0.0 110.101 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -70.5 -30.11 66.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.378 -0.826 . . . . 0.0 110.271 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.209 0.528 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.49 -41.55 69.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.56 -45.28 83.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.426 -0.796 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.26 -42.15 98.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.381 -0.824 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.19 90.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.6 -38.13 62.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -64.7 -31.87 73.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.212 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.92 -26.25 14.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.825 . . . . 0.0 110.288 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.4 -52.7 12.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.78 -30.03 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.355 -0.841 . . . . 0.0 110.086 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -73.6 -45.64 51.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.86 -52.89 63.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.7 -31.37 71.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.464 -0.772 . . . . 0.0 110.316 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 52.7 ttm-85 -66.46 -33.23 75.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.348 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -79.08 -35.59 42.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -29.46 67.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.854 . . . . 0.0 110.766 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -29.28 0.07 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.475 -0.765 . . . . 0.0 111.215 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.736 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -144.12 39.04 1.32 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.927 . . . . 0.0 110.294 179.304 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.91 -47.87 93.66 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.009 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.0 Cg_endo -92.09 94.08 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.54 1.284 . . . . 0.0 109.296 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.736 HG22 ' CD2' ' A' ' 16' ' ' LEU . 58.3 t -71.58 -8.6 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 110.828 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptt180 -47.5 -28.23 2.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.702 -0.623 . . . . 0.0 110.657 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.8 t70 -76.26 -29.45 57.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 109.961 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.3 mt-10 -76.15 -31.91 58.81 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.343 0.592 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.12 -33.79 50.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.476 -0.765 . . . . 0.0 110.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -70.17 -46.51 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.2 -41.76 89.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.432 -0.793 . . . . 0.0 110.071 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -63.4 -41.45 98.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.011 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -71.62 -38.05 70.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.407 -0.808 . . . . 0.0 110.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -42.52 91.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.804 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -41.62 90.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.062 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.29 -41.92 72.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 0.0 110.061 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -39.36 94.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.445 -0.784 . . . . 0.0 110.061 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -68.75 -36.13 77.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.201 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -46.45 87.69 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.61 91.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.64 76.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.098 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -67.8 -44.02 78.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.98 -37.57 87.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -62.01 -47.16 86.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.814 . . . . 0.0 110.086 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -62.45 -36.69 83.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -47.71 38.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 110.124 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.284 -0.885 . . . . 0.0 110.162 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.316 0.579 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.85 -33.81 76.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.291 -0.88 . . . . 0.0 110.147 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.94 -38.82 89.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.413 -0.804 . . . . 0.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.15 -34.94 77.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.33 92.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.8 -32.98 74.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.139 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -69.79 -33.32 72.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.455 -0.778 . . . . 0.0 110.225 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.367 -0.833 . . . . 0.0 110.19 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 8' ' ' VAL . 60.6 m . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.042 0.449 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -53.35 -26.3 18.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.273 -0.892 . . . . 0.0 110.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.67 -52.99 12.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 5' ' ' THR . 33.1 m -68.49 -25.57 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -66.7 -51.15 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.34 -42.78 99.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.321 -0.862 . . . . 0.0 109.995 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -63.07 -33.67 75.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 ttm180 -70.37 -29.87 66.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.372 -0.83 . . . . 0.0 110.088 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -75.0 -32.29 61.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.56 67.07 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.364 -0.835 . . . . 0.0 110.506 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.07 -28.1 0.16 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.432 -0.793 . . . . 0.0 110.906 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.9 tp -142.47 39.02 1.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 0.0 110.088 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.65 -46.9 98.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.271 -0.893 . . . . 0.0 109.707 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -91.54 93.98 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.673 1.354 . . . . 0.0 109.153 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.15 -7.56 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 0.0 110.848 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 3.9 ptm180 -47.29 -28.25 1.9 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.685 -0.635 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 t70 -70.34 -39.64 74.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.437 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.498 0.666 . . . . 0.0 109.357 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.04 -30.85 69.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -62.56 -50.87 69.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 0.0 109.917 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -48.25 81.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 0.0 109.944 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -63.73 -35.43 80.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 109.724 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -70.09 -38.15 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 0.0 109.947 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.06 85.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.335 -0.853 . . . . 0.0 110.018 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.86 -43.76 98.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 0.0 110.024 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.342 -0.848 . . . . 0.0 110.191 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.321 -0.862 . . . . 0.0 110.127 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.3 p -60.4 -46.19 90.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -61.11 -47.71 85.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.134 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -32.6 73.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.36 -0.838 . . . . 0.0 110.021 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.99 95.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.407 -0.808 . . . . 0.0 109.994 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -62.0 -53.82 50.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.037 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -58.76 -36.14 73.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.793 . . . . 0.0 110.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -68.4 -40.45 81.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.928 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -36.06 74.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.417 -0.802 . . . . 0.0 110.008 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -50.51 48.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 0.0 109.999 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.451 -0.78 . . . . 0.0 110.461 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.226 0.536 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.92 -30.89 64.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.397 -0.814 . . . . 0.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.22 -53.65 54.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 0.0 110.121 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.81 -34.4 77.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.423 -0.798 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.3 90.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -33.63 69.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.0 110.012 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -72.67 -31.64 65.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.341 -0.849 . . . . 0.0 110.248 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.644 ' O ' HG12 ' A' ' 8' ' ' VAL . 6.9 m . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.224 0.535 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -52.85 -26.29 14.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.0 110.362 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -62.69 -52.76 62.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.477 -0.764 . . . . 0.0 110.327 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 5' ' ' THR . 7.1 p -70.32 -25.17 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.347 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CD ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -72.61 -50.88 22.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 110.194 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.43 -44.34 62.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -35.34 76.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.347 -0.846 . . . . 0.0 110.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -74.82 -30.32 61.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.109 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.0 72.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.854 . . . . 0.0 110.199 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -29.33 67.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.4 -0.812 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.1 p90 -41.66 -27.94 0.12 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.521 -0.737 . . . . 0.0 110.919 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 26.1 tp -139.39 39.48 2.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.3 -0.875 . . . . 0.0 110.318 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.552 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.4 -45.7 98.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.617 179.245 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.3 Cg_endo -89.56 91.5 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.661 1.348 . . . . 0.0 108.867 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.99 -7.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 111.022 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 14.5 ptt180 -47.24 -29.02 2.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.4 t70 -76.46 -32.39 58.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.907 . . . . 0.0 109.711 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -31.2 68.37 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.381 0.61 . . . . 0.0 109.675 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.19 -45.12 50.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.419 -0.8 . . . . 0.0 109.91 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.93 74.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.343 -0.848 . . . . 0.0 109.998 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.35 -48.12 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.003 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -70.86 -36.45 72.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 110.033 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.26 -36.32 74.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 0.0 110.091 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -69.39 -40.73 77.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.85 . . . . 0.0 110.096 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.95 -43.77 98.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.079 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.88 70.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.018 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.366 -0.834 . . . . 0.0 110.114 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -47.85 82.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.858 . . . . 0.0 110.099 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -43.01 99.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.324 -0.86 . . . . 0.0 109.993 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -62.89 -41.84 99.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.505 -0.747 . . . . 0.0 110.084 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.88 -36.14 77.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.409 -0.807 . . . . 0.0 110.144 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -67.14 -38.23 85.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.331 -0.856 . . . . 0.0 110.116 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -32.12 64.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.827 . . . . 0.0 110.017 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.9 p -71.28 -39.52 71.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.807 . . . . 0.0 110.152 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -69.16 -37.24 78.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 110.078 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.21 75.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 0.0 110.055 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 110.051 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 121.076 0.465 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.35 -39.56 71.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.396 -0.815 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.79 70.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.852 . . . . 0.0 110.203 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.68 -50.49 72.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.89 88.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.375 -0.828 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.67 -31.98 72.97 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.176 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -71.01 -50.59 32.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.85 . . . . 0.0 110.188 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.45 -0.781 . . . . 0.0 110.152 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 8' ' ' VAL . 56.7 m . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.261 0.553 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -53.53 -26.1 19.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -0.877 . . . . 0.0 110.207 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.36 -52.83 14.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.443 -0.786 . . . . 0.0 110.33 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 5' ' ' THR . 35.6 m -65.57 -25.3 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 110.342 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -73.68 -39.21 64.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 0.0 110.039 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -44.68 67.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.061 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -61.5 -43.26 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.379 -0.826 . . . . 0.0 110.217 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -29.74 69.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -32.09 51.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.448 -0.782 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.14 62.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.425 -0.797 . . . . 0.0 110.693 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.7 p90 -43.4 -28.34 0.34 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.426 -0.796 . . . . 0.0 110.499 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.848 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -144.44 38.85 1.27 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.441 -0.787 . . . . 0.0 109.804 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -51.43 -48.19 86.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.208 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.6 Cg_endo -89.94 89.1 0.35 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.658 1.346 . . . . 0.0 109.257 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.848 HG22 ' CD2' ' A' ' 16' ' ' LEU . 48.2 t -73.91 -8.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.784 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.7 ptt85 -47.54 -28.85 2.45 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.738 -0.601 . . . . 0.0 110.626 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -76.57 -29.3 56.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.333 -0.855 . . . . 0.0 109.903 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.37 -31.24 60.42 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.285 0.564 . . . . 0.0 109.869 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -40.95 36.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.465 -0.772 . . . . 0.0 110.097 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -44.71 71.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.359 -0.838 . . . . 0.0 110.186 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -39.3 88.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -71.71 -32.52 67.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.061 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -71.54 -39.38 70.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.421 -0.799 . . . . 0.0 110.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -71.99 -35.22 69.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.84 -43.25 72.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.388 -0.82 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.63 96.36 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 0.0 110.086 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.84 -32.44 63.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.19 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 t -71.42 -41.04 70.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.42 -0.8 . . . . 0.0 110.151 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -34.2 74.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.44 -0.788 . . . . 0.0 110.134 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -73.85 -38.71 64.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.072 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.18 -46.65 64.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.321 -0.862 . . . . 0.0 110.094 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -62.92 -38.52 91.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.65 -41.46 96.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -61.91 -38.78 89.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.14 -40.63 96.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.383 -0.823 . . . . 0.0 110.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.59 -39.85 64.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.334 -0.854 . . . . 0.0 110.234 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 110.352 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.192 0.52 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.0 -44.7 72.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.435 -0.791 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.5 -45.18 95.31 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.211 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -42.09 96.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.335 -0.853 . . . . 0.0 110.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -32.53 69.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.8 -41.03 92.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.364 -0.835 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -72.79 -36.99 67.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.883 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.357 -0.84 . . . . 0.0 110.134 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 8' ' ' VAL . 32.4 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.254 0.549 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.9 p -53.08 -26.3 15.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.361 -0.837 . . . . 0.0 110.279 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.19 -52.67 62.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.434 -0.791 . . . . 0.0 110.216 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 5' ' ' THR . 34.7 m -72.85 -25.46 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.335 -0.853 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -74.59 -39.75 62.03 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.257 -0.902 . . . . 0.0 110.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.58 -38.01 65.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.205 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -42.77 94.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -0.814 . . . . 0.0 110.039 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -29.71 60.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.167 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -32.13 72.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -30.02 34.68 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.325 -0.859 . . . . 0.0 110.549 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 1.9 p90 -41.64 -30.7 0.24 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.405 -0.81 . . . . 0.0 110.586 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 16' ' ' LEU . 29.0 tp -141.33 40.11 1.75 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -52.96 -46.52 97.37 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.959 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.9 Cg_endo -89.76 88.42 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.601 1.316 . . . . 0.0 109.275 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.03 -6.84 9.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.728 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.33 -28.67 2.11 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.663 -0.648 . . . . 0.0 110.599 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 t0 -76.41 -31.53 57.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.803 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.89 -30.78 64.22 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.354 0.597 . . . . 0.0 109.804 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.8 -44.17 50.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -62.34 -39.13 92.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.052 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.36 -39.84 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.806 . . . . 0.0 110.004 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 m -71.36 -34.61 70.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.361 -0.837 . . . . 0.0 110.128 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -70.13 -44.19 69.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 110.033 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -43.17 83.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.299 -0.876 . . . . 0.0 110.093 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -62.59 -43.65 98.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.41 -0.806 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.7 70.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.62 -47.62 82.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.443 -0.786 . . . . 0.0 110.093 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -72.73 -36.44 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.089 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.18 -38.86 89.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.375 -0.828 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.54 -42.96 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -65.58 -43.23 90.39 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -0.839 . . . . 0.0 110.061 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -34.63 74.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.021 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 m -65.81 -45.47 82.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 110.138 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -33.35 75.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.841 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -52.26 23.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.149 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.02 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.168 0.509 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.09 -39.6 82.69 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.412 -0.805 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -64.2 -41.44 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.216 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -68.87 -42.91 76.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.33 86.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.08 -33.83 76.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.449 -0.782 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -31.87 65.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.205 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.214 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.077 0.465 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -53.81 -26.62 24.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.391 -0.818 . . . . 0.0 110.202 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -50.33 13.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.29 -31.77 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.329 -0.857 . . . . 0.0 110.279 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -73.03 -51.08 19.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.86 . . . . 0.0 110.187 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -37.65 84.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.833 . . . . 0.0 110.096 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -69.6 -30.41 68.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -31.12 66.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.194 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -78.61 -32.33 47.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.319 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -29.67 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.378 -0.826 . . . . 0.0 110.625 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -40.56 -29.69 0.1 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.486 -0.759 . . . . 0.0 111.144 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.649 HD21 HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -143.63 38.43 1.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 0.0 110.168 179.444 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.12 -47.17 96.83 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.435 -0.791 . . . . 0.0 110.18 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -92.14 94.04 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.552 1.29 . . . . 0.0 109.396 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.649 HG22 HD21 ' A' ' 16' ' ' LEU . 55.3 t -72.66 -8.74 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.701 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.0 ptm180 -47.96 -28.42 2.73 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.692 -0.63 . . . . 0.0 110.51 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.2 t70 -76.23 -29.93 57.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.847 . . . . 0.0 109.836 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -74.3 -32.06 62.73 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.354 0.597 . . . . 0.0 109.69 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -74.51 -39.04 62.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.517 -0.74 . . . . 0.0 109.964 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -43.93 87.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.385 -0.822 . . . . 0.0 110.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.99 -44.84 95.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.387 -0.821 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -66.28 -41.24 90.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 110.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.72 -40.92 97.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.395 -0.816 . . . . 0.0 110.099 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -32.05 73.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 110.167 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -44.17 81.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -0.851 . . . . 0.0 110.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.45 76.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -62.44 -37.82 87.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.16 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -71.68 -33.57 68.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -45.01 95.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.397 -0.815 . . . . 0.0 110.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -73.49 -37.05 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.793 . . . . 0.0 110.144 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -45.49 66.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.29 -0.881 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.44 -34.89 78.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.51 -50.43 67.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.168 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -58.29 -38.75 77.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.381 -0.824 . . . . 0.0 110.195 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.55 -40.56 97.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -73.67 -43.71 58.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.397 -0.815 . . . . 0.0 110.204 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.0 110.358 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.174 0.512 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.77 -31.01 71.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 110.044 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -61.06 -51.93 67.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 110.095 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.53 -29.4 70.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.425 -0.797 . . . . 0.0 110.024 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.96 64.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.35 -0.844 . . . . 0.0 110.212 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.82 -31.5 72.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.148 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -72.8 -35.57 67.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -0.834 . . . . 0.0 110.155 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.316 -0.865 . . . . 0.0 110.159 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.131 0.491 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -52.78 -26.56 14.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.372 -0.83 . . . . 0.0 110.207 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -75.23 -48.89 21.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.368 -0.832 . . . . 0.0 110.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.29 -28.26 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -50.96 51.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.401 -0.812 . . . . 0.0 110.144 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -44.6 96.99 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.315 -0.865 . . . . 0.0 110.076 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -30.33 68.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 110.156 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.3 mmm180 -68.14 -30.3 69.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.897 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.86 -41.55 29.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.402 -0.811 . . . . 0.0 110.369 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.71 66.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -41.11 -28.99 0.1 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.58 -0.7 . . . . 0.0 110.853 -179.455 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 19' ' ' VAL . 1.4 tp -141.46 40.2 1.73 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.321 -0.862 . . . . 0.0 110.243 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.547 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -51.52 -46.26 90.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.877 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.4 Cg_endo -88.29 89.11 0.49 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.62 1.326 . . . . 0.0 108.863 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG22 HD23 ' A' ' 16' ' ' LEU . 62.0 t -71.04 -8.39 11.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.007 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.2 ptm180 -47.35 -29.12 2.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.607 -0.683 . . . . 0.0 110.432 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.1 t70 -76.41 -32.91 58.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.95 -31.32 70.11 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.33 0.586 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.39 -43.7 48.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.557 -0.714 . . . . 0.0 109.963 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -67.68 -41.32 83.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 109.962 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.38 -47.71 80.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.432 -0.793 . . . . 0.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -63.24 -35.53 80.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 0.0 109.984 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -71.74 -35.78 70.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.804 . . . . 0.0 110.126 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -70.63 -39.63 73.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 110.047 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -37.67 87.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.388 -0.82 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.56 71.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.034 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -63.77 -44.14 94.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.381 -0.824 . . . . 0.0 110.023 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -40.55 97.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.84 . . . . 0.0 110.027 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.75 98.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.112 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -44.55 64.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.336 -0.853 . . . . 0.0 110.136 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.66 93.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -62.35 -49.03 77.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.205 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.66 -38.77 87.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.155 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.41 -0.806 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -62.57 -34.01 76.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -73.62 -35.27 65.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.423 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.142 0.496 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.55 -31.01 44.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.39 -0.818 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.91 -42.01 67.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 110.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.65 -40.79 88.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.429 -0.795 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.66 96.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -67.45 -31.19 71.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.274 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.24 -35.78 76.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.383 -0.823 . . . . 0.0 110.17 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.22 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG12 ' A' ' 8' ' ' VAL . 52.3 m . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.241 0.543 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -53.56 -26.07 19.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 110.325 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.05 -52.17 66.5 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.361 -0.837 . . . . 0.0 110.44 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 5' ' ' THR . 8.2 p -75.23 -26.01 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.464 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -50.84 16.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.262 -0.899 . . . . 0.0 110.021 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -63.01 -50.93 68.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.449 -0.782 . . . . 0.0 110.173 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -38.86 77.1 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 4.3 tpp180 -63.99 -32.48 74.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.308 -0.87 . . . . 0.0 110.124 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -32.54 47.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.72 -29.12 67.47 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.325 -0.859 . . . . 0.0 110.712 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -38.42 -30.77 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.561 -0.712 . . . . 0.0 110.822 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD22 HG22 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -149.29 46.55 0.98 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.38 -0.825 . . . . 0.0 109.724 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -51.85 -46.78 92.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.711 -0.618 . . . . 0.0 110.344 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -85.95 82.57 1.44 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.561 1.295 . . . . 0.0 109.285 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG22 HD22 ' A' ' 16' ' ' LEU . 46.8 t -79.67 -6.61 9.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.748 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 5.3 ptp180 -47.38 -29.09 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.751 -0.593 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -76.61 -32.66 58.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 110.066 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.41 -30.96 57.66 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -35.28 55.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.423 -0.798 . . . . 0.0 110.176 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -39.54 67.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.348 -0.845 . . . . 0.0 110.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -72.14 -35.58 69.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 110.15 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -74.59 -38.65 62.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.398 -0.814 . . . . 0.0 110.17 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.17 -46.77 87.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -71.17 -31.87 68.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.359 -0.838 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -62.75 -41.57 99.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.92 68.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -0.836 . . . . 0.0 110.157 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -73.28 -41.87 63.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 0.0 110.184 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.8 m -63.63 -39.84 95.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.287 -0.883 . . . . 0.0 110.162 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -66.91 -43.9 82.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.379 -0.826 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.73 -42.56 61.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.0 110.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.99 85.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -38.06 66.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.363 -0.836 . . . . 0.0 110.201 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -73.27 -39.33 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.363 -0.836 . . . . 0.0 110.173 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -52.58 63.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.381 -0.824 . . . . 0.0 110.193 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.63 73.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.53 -43.19 60.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.454 -0.779 . . . . 0.0 110.117 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.204 0.526 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.6 -40.33 94.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.384 -0.822 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.02 -42.92 99.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.393 -0.817 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.65 -38.35 73.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.166 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.48 69.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 0.0 110.206 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.75 -49.35 66.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.174 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.83 -54.55 40.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.259 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.41 167.75 26.51 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 O-C-N 123.802 1.422 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 mtt -102.03 147.96 25.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -0.837 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.5 p -81.52 -20.27 40.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.2 p -58.25 -31.75 67.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.226 -0.921 . . . . 0.0 110.373 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 p -52.84 -26.28 14.11 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.277 -0.889 . . . . 0.0 110.39 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.65 -52.77 10.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.368 -0.833 . . . . 0.0 110.352 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.27 -25.84 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.324 -0.86 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -68.64 -50.79 48.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.353 -0.842 . . . . 0.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.28 -44.09 84.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.325 -0.859 . . . . 0.0 110.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -33.59 76.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.345 -0.847 . . . . 0.0 110.142 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 7.8 ttt180 -75.07 -29.62 60.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.36 -0.837 . . . . 0.0 110.372 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -32.49 57.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.457 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.81 67.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.413 -0.804 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.12 -28.07 0.16 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.479 -0.763 . . . . 0.0 110.963 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -143.57 38.0 1.36 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.323 -0.86 . . . . 0.0 110.236 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.72 -48.46 90.78 Favored Pre-proline 0 N--CA 1.491 1.591 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.909 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.5 Cg_endo -91.93 93.82 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 O-C-N 123.558 1.294 . . . . 0.0 109.377 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.733 HG22 HD21 ' A' ' 16' ' ' LEU . 61.7 t -70.98 -9.18 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 110.866 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.52 -29.92 3.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.682 -0.636 . . . . 0.0 110.582 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 11.4 t70 -76.6 -32.63 58.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 109.882 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.36 -30.98 70.05 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.356 0.598 . . . . 0.0 109.715 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.36 -46.65 26.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.525 -0.734 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 m -68.9 -39.19 79.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.15 -41.29 97.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.5 p -71.41 -34.7 70.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.471 -0.768 . . . . 0.0 110.149 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.91 -46.79 56.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.15 -35.83 79.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.354 -0.841 . . . . 0.0 110.377 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -43.5 72.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.416 -0.803 . . . . 0.0 110.249 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.27 73.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.35 -0.844 . . . . 0.0 110.319 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 4.6 ttt-85 -73.77 -40.3 63.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.343 -0.848 . . . . 0.0 110.241 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -75.12 -36.79 61.61 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.378 -0.826 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -47.95 74.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.0 110.296 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.99 -33.2 63.74 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.428 -0.795 . . . . 0.0 110.259 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -67.69 -52.18 40.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.348 -0.845 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.58 -34.89 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.395 -0.816 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.24 -35.34 77.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.371 -0.831 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.5 p -73.14 -37.53 66.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.37 -0.831 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -66.4 -55.36 16.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.232 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -29.99 71.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.33 -0.856 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -61.42 -57.95 10.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 110.31 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.6 m -53.36 -41.74 66.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.496 -0.752 . . . . 0.0 109.518 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.6 mt-30 178.13 -178.47 0.25 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -66.74 -26.39 73.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 43' ' ' GLN . 7.5 t 70.26 -12.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.585 -0.95 . . . . 0.0 111.418 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.449 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.3 m 54.19 26.52 6.77 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.949 -1.094 . . . . 0.0 110.457 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -140.18 -53.17 0.51 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.444 -0.785 . . . . 0.0 110.156 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -65.85 -28.98 69.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -65.3 -34.38 78.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.36 -0.837 . . . . 0.0 110.159 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -42.61 99.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.324 -0.86 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.07 -44.9 71.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.443 -0.786 . . . . 0.0 110.163 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.84 -40.34 95.01 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.323 -0.861 . . . . 0.0 110.06 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.91 78.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.81 . . . . 0.0 110.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.44 -37.68 63.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.183 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -70.33 -42.59 71.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.322 -0.861 . . . . 0.0 110.154 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.52 -37.58 87.86 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.384 -0.822 . . . . 0.0 110.063 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt 57.95 160.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.625 -0.672 . . . . 0.0 110.452 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -136.39 108.36 0.66 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.79 -160.29 0.76 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.475 -1.015 . . . . 0.0 110.178 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.209 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.55 -50.2 0.24 Allowed 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.463 1.244 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.1 mtm -150.63 111.51 4.3 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.333 -0.855 . . . . 0.0 110.164 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -161.97 45.22 0.16 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.392 -0.818 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 8' ' ' VAL . 46.7 m -65.0 -31.59 72.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.312 -0.868 . . . . 0.0 110.097 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -52.9 -26.32 14.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.465 -0.772 . . . . 0.0 110.337 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.66 -52.95 15.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.285 -0.884 . . . . 0.0 110.197 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 5' ' ' THR . 9.2 p -68.0 -25.39 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -46.51 64.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.064 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -62.64 -47.99 81.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.422 -0.799 . . . . 0.0 110.08 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -57.52 -39.56 76.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.87 -33.94 62.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.402 -0.811 . . . . 0.0 109.982 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -60.25 -31.95 70.69 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.488 -0.757 . . . . 0.0 110.168 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.402 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.9 OUTLIER -51.31 -29.3 14.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.414 -0.804 . . . . 0.0 110.622 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.5 -29.47 0.16 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 111.171 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.9 tp -115.53 28.38 8.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.627 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.603 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 88.6 m -57.11 -41.31 90.54 Favored Pre-proline 0 N--CA 1.487 1.411 0 O-C-N 120.957 -1.09 . . . . 0.0 109.885 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.5 Cg_endo -89.32 89.41 0.39 Allowed 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.426 1.224 . . . . 0.0 109.213 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.53 -6.75 8.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.879 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 6.2 ptt180 -47.39 -28.35 2.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.735 -0.603 . . . . 0.0 110.666 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 8.5 t70 -76.26 -29.63 57.53 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.353 -0.842 . . . . 0.0 109.841 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.97 -31.38 59.0 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.405 0.622 . . . . 0.0 109.777 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 -46.2 55.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.467 -0.771 . . . . 0.0 110.068 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -66.26 -38.52 88.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.789 . . . . 0.0 110.028 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.72 -43.02 63.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.31 -0.868 . . . . 0.0 110.047 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.9 p -65.84 -37.02 85.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.457 -0.777 . . . . 0.0 109.995 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.82 -42.91 94.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -71.2 -35.44 71.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.384 -0.823 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.93 76.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.404 -0.81 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.4 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.413 -0.804 . . . . 0.0 110.157 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -38.22 87.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -38.13 79.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.393 -0.817 . . . . 0.0 110.101 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -69.21 -35.16 75.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.398 -0.814 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.97 -40.18 83.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.406 -0.809 . . . . 0.0 110.141 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.22 72.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.323 -0.861 . . . . 0.0 110.139 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -66.68 -34.82 78.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.322 -0.861 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -58.75 -39.57 81.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.189 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.8 p -72.94 -39.56 66.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.335 -0.853 . . . . 0.0 110.121 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -72.34 -40.41 67.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.373 -0.829 . . . . 0.0 110.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.86 -39.17 93.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.449 -0.782 . . . . 0.0 110.164 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -58.28 6.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.344 -0.848 . . . . 0.0 109.941 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.7 m -60.48 -27.96 67.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 62.94 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.726 -0.609 . . . . 0.0 110.363 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' THR . . . 174.57 73.88 0.05 OUTLIER Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.31 -44.12 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.317 -1.108 . . . . 0.0 110.509 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.7 p -61.12 -12.48 12.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.361 -0.837 . . . . 0.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.17 -6.34 10.88 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.689 -0.632 . . . . 0.0 110.111 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.4 m -129.96 -48.64 1.12 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.2 -0.937 . . . . 0.0 110.063 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -30.24 69.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.816 . . . . 0.0 110.168 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.24 -30.92 52.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.353 -0.842 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.48 -35.09 79.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.175 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.97 -37.23 61.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.381 -0.825 . . . . 0.0 110.143 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.92 97.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.392 -0.818 . . . . 0.0 110.149 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.46 -30.92 62.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -71.37 -35.1 70.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.391 -0.818 . . . . 0.0 110.185 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 m -74.78 -31.69 61.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.375 -0.828 . . . . 0.0 110.23 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.7 mt 52.36 79.73 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.265 -0.897 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.84 165.88 12.25 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -114.24 -28.48 7.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.411 -1.052 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.226 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.98 -41.52 1.34 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.834 1.439 . . . . 0.0 110.351 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.2 mtt 51.95 40.58 28.47 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.339 -0.85 . . . . 0.0 110.496 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.8 42.52 0.55 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.383 -0.823 . . . . 0.0 110.213 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -66.38 -31.62 72.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 110.136 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -52.95 -26.36 14.85 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.789 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -66.37 -51.15 60.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.73 -35.66 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -0.866 . . . . 0.0 110.055 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -44.81 70.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.385 -0.822 . . . . 0.0 110.075 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -59.44 -44.7 92.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.404 -0.81 . . . . 0.0 110.154 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HA ' ' OG ' ' A' ' 14' ' ' SER . 2.6 mtt180 -65.54 -30.31 71.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.454 -0.779 . . . . 0.0 110.135 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.35 -33.57 74.53 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.386 -0.821 . . . . 0.0 110.224 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -78.64 -32.45 47.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.367 -0.833 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -60.49 -29.27 68.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.4 -0.813 . . . . 0.0 110.672 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.3 p90 -38.73 -30.75 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.545 -0.722 . . . . 0.0 111.168 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.903 ' CD2' HG22 ' A' ' 19' ' ' VAL . 1.6 tt -141.33 42.69 1.77 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.262 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.1 -46.99 99.7 Favored Pre-proline 0 N--CA 1.491 1.589 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.985 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -90.71 91.81 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.577 1.304 . . . . 0.0 109.584 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.903 HG22 ' CD2' ' A' ' 16' ' ' LEU . 62.7 t -76.03 -6.71 9.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.584 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.25 -28.15 1.81 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.713 -0.617 . . . . 0.0 110.756 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 13.3 t70 -76.17 -31.28 58.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.306 -0.871 . . . . 0.0 109.806 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -32.9 61.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.35 0.595 . . . . 0.0 109.878 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -76.81 -37.55 55.55 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.463 -0.773 . . . . 0.0 109.973 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -64.98 -45.33 86.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.039 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.56 -39.67 91.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.345 -0.847 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -73.04 -31.61 64.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.12 -51.04 68.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -63.2 -44.83 94.25 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.301 -0.875 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.32 -31.93 71.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.421 -0.799 . . . . 0.0 110.214 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.51 74.57 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -32.67 67.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.414 -0.803 . . . . 0.0 110.135 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -71.41 -46.16 60.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.87 -40.74 98.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.282 -0.886 . . . . 0.0 110.045 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.98 -42.95 99.71 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.116 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.69 76.58 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -65.27 -42.67 92.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -60.26 -45.69 92.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.362 -0.836 . . . . 0.0 109.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.3 p -58.61 -39.64 81.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 109.914 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -66.53 -33.45 75.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -61.34 -46.8 88.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.397 -0.814 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -57.88 10.81 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.362 -0.837 . . . . 0.0 109.849 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 p -55.93 -27.36 51.96 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.452 -0.78 . . . . 0.0 109.841 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.63 13.07 9.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.644 -0.66 . . . . 0.0 110.743 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 94.18 -32.99 5.51 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 8.9 t 69.59 -10.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 O-C-N 121.537 -0.978 . . . . 0.0 111.218 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m 56.89 35.48 26.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.96 -1.088 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -58.97 0.51 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.178 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 m -89.67 -12.04 40.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 110.474 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -34.32 72.09 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.12 -0.987 . . . . 0.0 110.316 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.61 -41.53 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.851 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -69.65 -41.74 75.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.304 -0.872 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -43.28 99.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.411 -0.805 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.64 93.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.08 -30.91 62.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.184 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -72.68 -39.12 67.32 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -61.16 -49.81 75.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.395 -0.816 . . . . 0.0 110.335 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.12 146.44 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.341 -0.849 . . . . 0.0 110.217 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.96 -176.52 47.89 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.34 -57.25 0.49 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.356 -1.085 . . . . 0.0 110.171 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.8 -27.4 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.801 1.422 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -158.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 t 53.27 32.22 13.13 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.368 -0.832 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.617 ' O ' HG12 ' A' ' 8' ' ' VAL . 38.9 p -72.35 -32.33 66.38 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.361 -0.837 . . . . 0.0 110.201 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -54.17 -25.92 25.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.431 -0.793 . . . . 0.0 110.059 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.94 -52.95 63.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.338 -0.852 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 5' ' ' THR . 7.3 p -71.02 -25.06 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.356 -0.84 . . . . 0.0 110.114 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -51.0 45.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 0.0 110.073 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.49 -42.72 99.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.345 -0.847 . . . . 0.0 110.077 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -30.15 71.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.083 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.59 -30.65 64.56 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -0.829 . . . . 0.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -76.18 -32.0 58.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.379 -0.826 . . . . 0.0 110.235 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -30.15 45.44 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.318 -0.864 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 2.4 p90 -41.68 -30.21 0.22 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.504 -0.748 . . . . 0.0 110.857 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 11.4 tp -150.4 30.09 0.69 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.246 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.5 m -57.44 -42.69 97.17 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.045 -1.034 . . . . 0.0 110.059 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.7 Cg_endo -93.08 88.49 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.365 1.192 . . . . 0.0 109.8 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.69 -7.05 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 ptp180 -47.75 -28.68 2.62 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.809 -0.557 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 28.8 t0 -76.28 -29.76 57.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 109.918 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.21 -30.26 57.91 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.338 0.589 . . . . 0.0 109.851 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.38 -41.67 55.79 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.401 -0.812 . . . . 0.0 110.155 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -45.06 76.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.09 -36.03 74.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.357 -0.839 . . . . 0.0 110.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -74.53 -37.65 62.98 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.345 -0.847 . . . . 0.0 110.18 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.06 -38.88 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.347 -0.846 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -70.25 -40.97 74.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.352 -0.843 . . . . 0.0 110.142 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -61.79 -40.76 96.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.395 -0.816 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.59 -50.76 33.81 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.257 -0.902 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.64 85.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.0 110.216 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -67.36 -33.58 75.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.342 -0.849 . . . . 0.0 110.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -70.09 -37.54 75.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 110.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -67.08 -46.01 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.455 -0.778 . . . . 0.0 110.104 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.41 67.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.358 -0.839 . . . . 0.0 110.074 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -61.42 -46.12 91.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.353 -0.842 . . . . 0.0 110.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -59.18 -37.22 76.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.295 -0.878 . . . . 0.0 110.014 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -61.85 -41.73 98.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.826 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.18 -48.36 81.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.412 -0.805 . . . . 0.0 109.828 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -29.84 63.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -57.91 9.27 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.321 -0.862 . . . . 0.0 110.112 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.638 HG22 HG22 ' A' ' 45' ' ' VAL . 32.0 m -54.33 -27.66 37.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.384 -0.822 . . . . 0.0 109.628 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.57 -157.46 0.34 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.571 -0.706 . . . . 0.0 110.349 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -74.86 -6.87 79.77 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 42' ' ' THR . 5.1 t 71.27 -12.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.512 -0.993 . . . . 0.0 111.328 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m 54.74 35.96 25.18 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.935 -1.103 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.608 HD12 HG12 ' A' ' 45' ' ' VAL . 1.1 mt -141.5 -52.21 0.44 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -0.832 . . . . 0.0 110.108 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.2 p -77.94 -50.63 11.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.373 -0.829 . . . . 0.0 110.147 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.0 -30.45 71.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.389 -0.82 . . . . 0.0 110.127 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -32.97 68.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.324 -0.86 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -45.7 86.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.38 -0.825 . . . . 0.0 110.102 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -70.9 -41.45 71.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.812 . . . . 0.0 110.103 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.32 73.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.95 -41.83 67.31 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -72.88 -38.34 67.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.841 . . . . 0.0 110.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 p -62.89 -39.06 93.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.829 . . . . 0.0 110.205 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 57' ' ' ILE . 82.5 mt 52.63 57.77 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.324 -0.86 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -106.51 -37.83 2.36 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.44 -88.11 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.557 -0.966 . . . . 0.0 110.647 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.6 m . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.062 -1.024 . . . . 0.0 110.165 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.17 -43.56 0.71 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.782 1.412 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.06 162.55 41.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 m -123.51 27.9 7.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 110.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -58.3 -31.45 67.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.435 -0.791 . . . . 0.0 110.423 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.74 -26.3 13.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.347 -0.846 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -68.74 -49.59 57.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.83 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.78 -27.97 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.327 -0.858 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -42.57 58.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.817 . . . . 0.0 110.228 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.56 -47.83 83.73 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.363 -0.836 . . . . 0.0 110.222 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -61.98 -41.36 97.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -68.9 -29.68 68.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.385 -0.822 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -77.91 -31.96 51.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.493 -0.754 . . . . 0.0 110.352 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -52.65 -29.92 28.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.379 -0.826 . . . . 0.0 110.791 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.6 p90 -41.86 -30.49 0.26 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.346 -0.846 . . . . 0.0 110.389 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 26.6 tp -139.95 41.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.456 -0.778 . . . . 0.0 110.061 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -52.29 -47.36 92.86 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.402 -0.811 . . . . 0.0 109.866 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.6 Cg_endo -87.86 84.01 0.83 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.67 1.353 . . . . 0.0 109.234 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.36 -7.56 10.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.751 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.5 ptp180 -47.44 -29.08 2.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.63 -0.669 . . . . 0.0 110.589 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -76.44 -30.95 57.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.874 . . . . 0.0 109.728 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -32.45 67.1 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.346 0.593 . . . . 0.0 109.77 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.15 -43.53 57.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 m -62.83 -37.47 86.93 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 110.103 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.15 -44.96 82.66 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -69.6 -31.16 69.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.031 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -63.2 -49.39 74.41 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.827 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -42.2 85.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.171 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -66.63 -39.35 88.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 110.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.59 73.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.854 . . . . 0.0 110.072 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -63.31 -42.75 99.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.778 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -67.44 -37.13 82.54 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -0.859 . . . . 0.0 110.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -71.65 -32.55 68.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.393 -0.817 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -42.06 81.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.812 . . . . 0.0 110.151 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.68 74.96 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.384 -0.822 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.68 80.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.378 -0.826 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -38.69 91.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.348 -0.845 . . . . 0.0 110.169 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -70.01 -41.67 74.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 110.138 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -71.0 -34.77 71.67 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.386 -0.821 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -38.64 89.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.367 -0.833 . . . . 0.0 110.3 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -73.96 -34.37 64.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.5 m -53.3 -31.92 46.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.32 -0.863 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 178.14 -178.42 0.25 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.483 -0.76 . . . . 0.0 110.02 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -83.04 -32.97 24.9 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG12 ' HB2' ' A' ' 47' ' ' LEU . 6.3 t 69.49 -11.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.643 -0.916 . . . . 0.0 111.442 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 45' ' ' VAL . 11.5 t 36.49 38.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.483 -0.761 . . . . 0.0 111.436 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.565 ' HB2' HG12 ' A' ' 45' ' ' VAL . 5.3 mt -139.99 -43.95 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -96.98 -27.09 14.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.77 -30.24 69.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.227 -0.92 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.26 -42.2 80.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.378 -0.826 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.54 -50.29 70.13 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 0.0 110.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 56' ' ' THR . 9.8 tt0 -61.85 -30.52 70.9 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.396 -0.815 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.73 -52.38 63.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.216 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.866 . . . . 0.0 110.175 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -72.67 -53.05 12.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.842 . . . . 0.0 110.181 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 52' ' ' GLU . 80.9 p -60.65 -39.03 86.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 110.189 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.2 mt -82.29 78.32 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.313 -0.867 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.15 -128.62 0.47 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.08 174.03 13.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -1.067 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.198 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.99 -33.44 7.62 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.836 1.44 . . . . 0.0 110.454 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 53.07 -177.92 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.35 -0.844 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.66 58.65 4.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.212 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -63.77 -31.53 72.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.2 p -52.83 -26.25 13.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.837 . . . . 0.0 110.311 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -67.13 -51.5 53.2 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.374 -0.829 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.99 -32.0 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.306 -0.871 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -70.95 -44.84 65.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.383 -0.823 . . . . 0.0 110.161 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.23 -31.71 72.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.341 -0.849 . . . . 0.0 110.159 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -71.18 -34.06 70.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -74.53 -29.9 61.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 110.169 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -32.05 58.18 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -0.79 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -29.96 57.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.35 -0.844 . . . . 0.0 110.745 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -41.4 -30.52 0.19 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.439 -0.788 . . . . 0.0 110.662 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.3 tp -143.25 40.24 1.46 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.477 -0.764 . . . . 0.0 109.891 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.536 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -52.63 -46.78 95.71 Favored Pre-proline 0 N--CA 1.49 1.553 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.89 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.2 Cg_endo -90.55 89.62 0.3 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.671 1.353 . . . . 0.0 109.418 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.35 -7.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.441 -0.787 . . . . 0.0 110.722 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 16.0 ptt85 -47.43 -28.14 2.0 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.7 t70 -75.51 -30.75 59.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.0 109.862 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -33.64 62.72 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.391 0.615 . . . . 0.0 109.761 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.72 -40.66 40.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.521 -0.737 . . . . 0.0 109.944 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 m -63.06 -39.47 94.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.403 -0.811 . . . . 0.0 110.048 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -38.49 72.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.354 -0.841 . . . . 0.0 110.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -39.22 69.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.369 -0.832 . . . . 0.0 110.081 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.78 -48.73 73.44 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.365 -0.834 . . . . 0.0 110.142 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -40.04 91.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.11 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.47 79.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.407 -0.808 . . . . 0.0 110.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -48.53 49.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.359 -0.838 . . . . 0.0 110.14 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.78 99.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.403 -0.811 . . . . 0.0 110.227 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 t -62.54 -46.4 88.54 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 110.191 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -43.09 99.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.387 -0.82 . . . . 0.0 110.175 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -69.02 -46.25 68.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.359 -0.838 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.52 78.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.07 -46.47 51.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -40.3 64.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.403 -0.81 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.4 t -61.46 -52.36 64.86 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 110.343 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -40.6 85.2 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.3 -0.875 . . . . 0.0 110.282 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HA ' HG11 ' A' ' 45' ' ' VAL . 2.5 ttt180 -69.76 -41.16 75.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.318 -0.864 . . . . 0.0 110.228 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -66.1 -49.65 66.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.405 -0.809 . . . . 0.0 110.521 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 43' ' ' GLN . 61.9 m -52.79 -59.47 4.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -0.828 . . . . 0.0 109.506 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' THR . 1.2 mt-30 170.65 -160.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.717 -0.614 . . . . 0.0 110.081 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.47 36.36 59.14 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG23 ' H ' ' A' ' 46' ' ' THR . 6.6 m -150.47 -50.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -1.131 . . . . 0.0 110.638 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.539 ' H ' HG23 ' A' ' 45' ' ' VAL . 65.1 p -60.32 -14.07 16.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.155 -0.966 . . . . 0.0 109.755 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 mp -117.14 -11.1 10.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.847 -0.533 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.2 m -122.48 -45.82 2.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.184 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -55.58 -30.6 61.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.47 -0.769 . . . . 0.0 110.359 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.88 -36.82 80.19 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.379 -0.826 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.57 -34.06 74.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.348 -0.845 . . . . 0.0 110.201 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -71.71 -40.54 69.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.39 -0.819 . . . . 0.0 110.119 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.36 88.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.347 -0.846 . . . . 0.0 110.143 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.06 -33.34 65.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.382 -0.824 . . . . 0.0 110.133 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -62.71 -31.8 72.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.367 -0.833 . . . . 0.0 110.047 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -59.66 -31.62 69.71 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.1 mt 52.92 94.7 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.343 -0.848 . . . . 0.0 110.404 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.27 84.73 0.37 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -62.32 -73.09 0.11 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -1.093 . . . . 0.0 110.138 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.186 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.97 71.79 3.4 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 O-C-N 123.793 1.417 . . . . 0.0 110.443 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.2 mtm -105.94 85.63 2.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.374 -0.828 . . . . 0.0 110.171 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.25 35.73 0.38 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 8' ' ' VAL . 9.7 t -60.27 -31.47 70.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.391 -0.818 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -52.82 -26.35 14.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.321 -0.862 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -67.57 -52.59 36.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.393 -0.817 . . . . 0.0 110.222 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 5' ' ' THR . 33.7 m -73.39 -27.11 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.844 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -42.29 59.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.45 -33.52 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -52.38 32.63 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.411 -0.806 . . . . 0.0 110.367 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.65 70.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.272 -0.892 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -71.67 -32.13 67.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.281 -0.887 . . . . 0.0 110.463 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -30.15 63.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 110.686 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.2 p90 -44.02 -26.95 0.33 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.465 -0.772 . . . . 0.0 111.056 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' HG22 ' A' ' 19' ' ' VAL . 15.2 tp -132.99 33.0 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 ' HB ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -56.69 -47.15 99.51 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 109.808 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' A' ' 17' ' ' THR . 49.6 Cg_endo -92.54 89.06 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.434 1.229 . . . . 0.0 109.602 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.59 HG22 ' HG ' ' A' ' 16' ' ' LEU . 61.1 t -79.43 -7.92 10.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.409 -0.807 . . . . 0.0 110.709 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -47.58 -31.13 4.15 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.711 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -31.4 56.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.269 -0.894 . . . . 0.0 110.137 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -76.4 -31.01 57.71 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.232 0.539 . . . . 0.0 110.21 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -77.26 -53.4 7.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.407 -0.808 . . . . 0.0 110.159 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -60.11 -45.69 92.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.311 -0.868 . . . . 0.0 110.236 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.77 -41.79 98.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.395 -0.816 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.7 p -74.51 -36.14 63.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.263 -0.898 . . . . 0.0 110.435 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -71.04 -49.15 47.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 110.397 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -38.32 86.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.283 -0.885 . . . . 0.0 110.2 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -63.31 -53.68 48.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 110.179 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.99 89.94 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.316 -0.865 . . . . 0.0 110.206 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 2.8 tpt85 -73.83 -36.31 64.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.336 -0.853 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -68.05 -46.8 70.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -44.66 95.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -73.84 -30.39 62.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.395 -0.815 . . . . 0.0 110.22 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -63.52 -51.01 67.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.377 -0.827 . . . . 0.0 110.196 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -36.45 66.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -68.41 -40.31 81.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.41 -0.806 . . . . 0.0 110.117 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 m -73.1 -33.11 65.38 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.349 -0.845 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.564 ' HG3' HG22 ' A' ' 45' ' ' VAL . 4.5 tpt180 -66.24 -36.39 82.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.327 -0.858 . . . . 0.0 110.131 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.45 -51.22 17.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.403 -0.811 . . . . 0.0 110.121 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -58.33 7.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.32 -0.863 . . . . 0.0 110.003 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 m -59.23 -27.54 65.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.445 -0.785 . . . . 0.0 109.66 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 61.7 -139.39 0.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.562 -0.711 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.09 27.37 38.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.564 HG22 ' HG3' ' A' ' 39' ' ' ARG . 7.1 t -78.17 -7.61 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.844 -0.798 . . . . 0.0 110.511 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 64.67 19.51 11.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.294 -0.879 . . . . 0.0 110.093 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.3 -35.92 2.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.391 -0.818 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -114.06 -37.21 4.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.871 . . . . 0.0 110.084 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.75 -30.82 71.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -36.13 74.66 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.394 -0.816 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -62.66 -49.49 74.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.325 -0.859 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.69 -29.43 69.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 57' ' ' ILE . . . -62.38 -53.58 52.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.368 -0.832 . . . . 0.0 110.127 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -34.27 75.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.409 -0.807 . . . . 0.0 110.113 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -61.39 -37.38 83.21 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.44 -0.788 . . . . 0.0 110.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.4 m -73.86 -31.29 63.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.166 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 57' ' ' ILE . 6.5 tp -141.71 119.35 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.49 -27.7 7.49 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.31 -162.64 0.13 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.344 -1.092 . . . . 0.0 110.35 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.41 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.8 -44.06 0.73 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.839 1.441 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 52.29 -176.53 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.334 -0.853 . . . . 0.0 110.508 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -149.33 39.26 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.38 -0.825 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 8' ' ' VAL . 4.1 p -62.75 -31.31 72.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 0.0 110.238 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 t -52.79 -26.22 13.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.397 -0.814 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.46 -52.96 21.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.345 -0.847 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 5' ' ' THR . 35.9 m -67.12 -25.19 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.316 -0.865 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -44.97 76.26 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.344 -0.848 . . . . 0.0 109.904 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.69 -41.96 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -0.804 . . . . 0.0 109.847 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.8 71.86 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.343 -0.848 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -29.8 61.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.395 -0.816 . . . . 0.0 109.723 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -69.25 -31.99 70.9 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.434 ' HA ' HG23 ' A' ' 17' ' ' THR . 0.3 OUTLIER -53.8 -29.62 41.3 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.405 -0.809 . . . . 0.0 110.54 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 2.5 p90 -39.51 -31.55 0.1 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.437 -0.789 . . . . 0.0 110.759 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 28.0 tp -133.99 42.37 2.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.391 -0.818 . . . . 0.0 110.133 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -53.81 -47.13 97.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.751 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.7 Cg_endo -86.9 82.79 1.17 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.639 1.336 . . . . 0.0 109.234 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG22 ' HG ' ' A' ' 16' ' ' LEU . 60.6 t -74.21 -6.67 8.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.793 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.14 -28.09 1.67 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.763 -0.586 . . . . 0.0 110.775 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 27.2 t0 -71.88 -32.62 67.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.739 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.43 -36.65 57.87 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.322 0.582 . . . . 0.0 109.921 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.58 69.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.457 -0.777 . . . . 0.0 110.011 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.1 p -74.44 -35.8 63.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.485 -0.76 . . . . 0.0 110.032 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.78 -47.71 83.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.433 -0.792 . . . . 0.0 109.979 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -67.75 -36.83 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.46 -0.775 . . . . 0.0 110.007 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.73 -47.31 54.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.447 -0.783 . . . . 0.0 110.124 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.22 -40.87 91.69 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.422 -0.799 . . . . 0.0 110.21 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -46.73 88.95 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.397 -0.815 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.14 70.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -71.7 -38.55 70.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -0.881 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -72.68 -34.11 66.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.08 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -73.3 -42.18 62.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.993 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -73.94 -38.86 64.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.275 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.98 59.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -62.18 -35.04 77.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.271 -0.893 . . . . 0.0 110.028 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -68.44 -39.08 81.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.43 -0.794 . . . . 0.0 110.225 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.3 p -65.64 -37.91 87.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.346 -0.846 . . . . 0.0 110.079 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.41 -53.0 61.33 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 110.178 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -60.95 -29.87 69.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.342 -0.849 . . . . 0.0 110.155 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -58.38 6.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.345 -0.847 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 m -57.14 -27.75 62.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.369 -0.832 . . . . 0.0 109.571 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.3 -162.14 0.25 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.502 -0.749 . . . . 0.0 110.325 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.48 ' C ' HG23 ' A' ' 45' ' ' VAL . . . -79.52 -20.04 69.89 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.824 -1.311 . . . . 0.0 109.824 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 44' ' ' GLY . 4.3 t 71.18 -12.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.59 -0.947 . . . . 0.0 111.309 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.4 p 45.47 29.39 0.6 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.203 -0.935 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 47' ' ' LEU . 76.4 mt -143.15 -60.92 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.883 . . . . 0.0 110.168 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -79.65 -22.44 43.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.381 -0.825 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -58.22 -30.41 66.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -39.78 86.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.9 -53.94 22.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.297 -0.877 . . . . 0.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.63 -34.39 75.58 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.11 63.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.43 -0.794 . . . . 0.0 110.051 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -53.61 -38.07 63.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.0 110.23 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -32.89 66.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.813 . . . . 0.0 109.98 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 m -75.98 -42.17 49.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.3 128.21 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.866 . . . . 0.0 110.208 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.41 37.82 0.08 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 52.53 87.08 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -1.087 . . . . 0.0 110.488 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.15 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.92 -27.7 14.08 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.713 1.375 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.0 ttp -69.11 -29.43 67.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.34 -0.85 . . . . 0.0 110.239 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.66 28.17 8.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.352 -0.843 . . . . 0.0 110.295 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -62.21 -31.5 72.05 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.37 -0.831 . . . . 0.0 110.254 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -52.85 -26.43 14.62 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.463 -0.773 . . . . 0.0 110.247 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.29 -51.88 47.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -57.94 -39.89 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.346 -0.846 . . . . 0.0 110.35 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.13 59.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.13 -48.3 71.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -60.52 -36.97 79.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.359 -0.838 . . . . 0.0 110.212 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -67.29 -31.93 72.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.382 -0.823 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -32.38 45.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.458 -0.776 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -29.66 67.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.349 -0.844 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -40.2 -30.08 0.09 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.493 -0.754 . . . . 0.0 110.809 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.8 ' HG ' HG22 ' A' ' 19' ' ' VAL . 29.5 tp -148.08 43.18 1.05 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.49 -0.756 . . . . 0.0 109.768 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -54.7 -48.51 95.21 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.381 -0.824 . . . . 0.0 110.018 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.1 Cg_endo -92.48 92.66 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 123.475 1.25 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.8 HG22 ' HG ' ' A' ' 16' ' ' LEU . 60.0 t -86.39 -8.85 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 5.4 ptt-85 -48.41 -32.58 7.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.748 -0.595 . . . . 0.0 111.037 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 7.1 t0 -76.47 -37.49 56.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.19 -0.944 . . . . 0.0 110.276 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.8 mt-10 -76.45 -38.33 55.61 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.172 0.51 . . . . 0.0 110.27 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.27 -42.19 93.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.414 -0.804 . . . . 0.0 110.197 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -43.32 74.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.367 -0.833 . . . . 0.0 110.097 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.55 -41.11 66.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 110.036 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.2 m -61.68 -37.73 85.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -68.13 -47.22 68.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 0.0 109.996 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -71.85 -34.95 69.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.344 -0.847 . . . . 0.0 110.098 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -61.17 -51.32 69.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.875 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.67 96.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.1 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -38.27 73.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.342 -0.849 . . . . 0.0 110.079 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -73.7 -37.35 65.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.431 -0.793 . . . . 0.0 110.111 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -65.26 -35.29 80.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.83 -37.01 64.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 110.171 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.52 -51.15 59.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.86 78.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.414 -0.804 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.6 -40.81 63.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 m -61.5 -49.07 78.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -37.71 87.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.362 -0.836 . . . . 0.0 110.071 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ttp-105 -69.72 -41.33 75.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 110.035 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -58.27 7.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.45 -0.781 . . . . 0.0 110.001 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.6 p -56.34 -27.96 57.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.518 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 55.14 -163.33 0.13 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.691 -0.631 . . . . 0.0 110.457 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -81.35 -21.64 62.05 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 9.8 t 70.67 -12.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.613 -0.934 . . . . 0.0 111.364 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.3 m 54.12 26.7 6.83 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.853 -1.154 . . . . 0.0 110.405 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 46' ' ' THR . 1.8 mp -132.37 -45.58 0.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.362 -0.837 . . . . 0.0 110.124 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.6 m -81.41 -30.95 33.41 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.373 -0.829 . . . . 0.0 110.12 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -39.76 65.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 110.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -41.29 83.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.04 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.45 -36.3 82.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.398 -0.814 . . . . 0.0 110.059 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.53 -40.06 85.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 110.113 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.27 96.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.827 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.75 -30.77 68.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.787 . . . . 0.0 110.196 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -46.83 66.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.432 -0.793 . . . . 0.0 110.185 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 m -66.34 -34.0 77.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.396 -0.815 . . . . 0.0 110.111 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 57' ' ' ILE . 51.0 mm -109.84 48.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.386 -0.821 . . . . 0.0 110.027 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.7 -164.2 37.19 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -167.82 52.03 0.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -1.051 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.504 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.09 93.53 0.81 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.747 1.393 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 mtt 52.18 75.14 0.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.26 -0.9 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -113.66 27.46 9.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 0.0 110.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 8' ' ' VAL . 6.5 p -72.31 -31.81 66.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.376 -0.828 . . . . 0.0 110.058 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -55.78 -25.68 42.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 110.143 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.35 -52.94 9.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.339 -0.85 . . . . 0.0 110.551 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 5' ' ' THR . 34.8 m -63.11 -25.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.271 -0.893 . . . . 0.0 110.346 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -74.58 -48.41 26.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.282 -0.886 . . . . 0.0 110.167 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.07 -47.09 66.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -42.92 86.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 110.449 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -66.81 -31.98 72.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -32.49 46.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.362 -0.836 . . . . 0.0 110.498 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.405 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -59.85 -29.72 68.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.437 -0.79 . . . . 0.0 110.873 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.3 p90 -43.51 -26.96 0.24 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.814 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.928 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -160.35 37.01 0.17 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.439 -0.788 . . . . 0.0 109.964 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.556 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.6 m -52.17 -41.95 83.53 Favored Pre-proline 0 N--CA 1.49 1.546 0 C-N-CA 119.469 -0.892 . . . . 0.0 110.493 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.6 Cg_endo -91.87 88.26 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.241 1.127 . . . . 0.0 109.589 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.928 HG22 ' CD2' ' A' ' 16' ' ' LEU . 49.5 t -78.33 -7.34 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.7 ptt180 -47.56 -29.69 3.03 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.668 -0.645 . . . . 0.0 110.692 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 15.2 t70 -76.69 -31.57 57.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.305 -0.872 . . . . 0.0 109.965 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -34.13 58.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.261 0.553 . . . . 0.0 110.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.29 -36.29 46.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.177 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 t -74.55 -41.52 60.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.297 -0.877 . . . . 0.0 110.23 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.96 -36.98 67.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.839 . . . . 0.0 110.144 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -74.5 -39.13 62.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -66.71 -36.27 82.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.333 -0.855 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -73.11 -46.95 48.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.344 -0.847 . . . . 0.0 110.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -69.63 -43.34 72.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.337 -0.852 . . . . 0.0 110.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.05 77.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.853 . . . . 0.0 110.145 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -42.07 61.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.419 -0.801 . . . . 0.0 110.197 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -61.7 -41.46 97.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 110.215 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.61 71.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 110.189 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.71 64.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 0.0 110.21 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.72 82.51 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.41 -0.806 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 mtm-85 -73.27 -41.29 63.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -70.62 -42.76 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -60.87 -47.1 87.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.334 -0.854 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -71.27 -32.69 68.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.32 -0.862 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -72.77 -38.17 67.39 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 110.421 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -73.75 -27.45 61.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.366 -0.833 . . . . 0.0 110.386 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.4 m -53.16 -44.69 68.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.321 -0.862 . . . . 0.0 109.596 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.4 -159.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.436 -0.79 . . . . 0.0 110.014 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -87.89 -11.47 67.79 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 7.1 t 71.09 -13.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.564 -0.962 . . . . 0.0 111.431 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m 52.61 25.95 4.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.929 -1.107 . . . . 0.0 110.505 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 47' ' ' LEU . 1.1 mm? -110.54 -54.52 2.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 p -81.98 -28.95 32.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.212 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.12 -35.58 80.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.269 -0.894 . . . . 0.0 110.192 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -40.23 71.03 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.401 -0.812 . . . . 0.0 110.154 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.79 -47.41 66.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.314 -0.866 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.13 -34.35 76.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.457 -0.777 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.44 73.7 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.8 -31.64 68.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -0.839 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -72.84 -33.73 66.35 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 110.23 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -72.9 -45.0 60.58 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -85.53 176.92 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.341 -0.849 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.81 179.78 6.04 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.47 -41.31 3.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -1.074 . . . . 0.0 110.198 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.168 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.34 63.54 3.58 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 O-C-N 123.802 1.422 . . . . 0.0 110.391 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.4 ttp -116.14 142.57 46.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t 52.49 49.67 19.92 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.384 -0.822 . . . . 0.0 110.442 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 8' ' ' VAL . 9.4 t -61.0 -31.64 71.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.376 -0.828 . . . . 0.0 110.276 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.6 p -52.85 -26.3 14.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.333 -0.854 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -73.16 -52.5 13.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 5' ' ' THR . 34.5 m -69.79 -25.48 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.396 -0.815 . . . . 0.0 110.502 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -74.4 -48.12 29.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.84 -43.04 94.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.355 -0.841 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -61.25 -41.12 96.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.394 -0.816 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -68.48 -30.29 69.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.424 -0.798 . . . . 0.0 110.184 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -32.42 46.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.414 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -59.4 -29.45 67.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.357 -0.839 . . . . 0.0 110.755 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.8 p90 -41.32 -28.88 0.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.458 -0.776 . . . . 0.0 110.424 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -159.8 39.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.591 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.2 m -54.57 -40.28 81.89 Favored Pre-proline 0 N--CA 1.488 1.459 0 C-N-CA 119.369 -0.932 . . . . 0.0 110.371 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 17' ' ' THR . 48.9 Cg_endo -92.82 94.75 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.398 1.21 . . . . 0.0 109.411 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.5 t -72.02 -8.72 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.387 -0.821 . . . . 0.0 110.873 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -47.48 -29.54 2.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.671 -0.643 . . . . 0.0 110.496 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.7 t0 -76.5 -32.6 58.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 109.736 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.55 -29.99 67.69 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.329 0.585 . . . . 0.0 109.775 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.88 -46.81 23.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.478 -0.764 . . . . 0.0 110.085 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 t -66.96 -44.25 81.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.047 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.61 -43.88 88.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.387 -0.82 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.2 p -66.48 -32.08 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.363 -0.836 . . . . 0.0 110.064 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.94 -45.24 90.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -71.94 -41.41 67.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -69.85 -47.52 62.36 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.118 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.28 85.19 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.333 -0.854 . . . . 0.0 110.143 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -64.69 -28.62 69.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.422 -0.799 . . . . 0.0 110.059 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 t -73.4 -34.52 65.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.332 -0.855 . . . . 0.0 110.071 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -36.8 65.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.331 -0.856 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.41 -37.7 65.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.415 -0.803 . . . . 0.0 110.123 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.96 87.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.374 -0.829 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -65.6 -50.18 66.03 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.405 -0.809 . . . . 0.0 110.189 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.63 -37.58 85.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.42 -0.8 . . . . 0.0 110.15 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -66.13 -49.2 68.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.313 -0.867 . . . . 0.0 110.146 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.75 -34.13 77.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.32 -0.862 . . . . 0.0 110.179 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -32.63 71.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.163 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -58.39 3.81 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.39 -0.819 . . . . 0.0 110.048 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 p -59.69 -27.77 66.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.81 . . . . 0.0 109.519 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.58 -160.13 0.29 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.548 -0.72 . . . . 0.0 110.314 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -83.96 -44.08 6.89 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 16.4 t 68.43 -10.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.581 -0.952 . . . . 0.0 111.436 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.6 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.2 m 59.36 34.32 22.77 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.95 -1.093 . . . . 0.0 110.241 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 46' ' ' THR . 1.1 mp -133.68 -63.68 0.74 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.375 -0.828 . . . . 0.0 110.035 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 80.4 p -62.76 -23.05 67.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.328 -0.857 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.75 -30.39 65.56 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.217 -0.927 . . . . 0.0 110.237 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.38 -36.75 66.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -75.4 -31.87 60.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.455 -0.778 . . . . 0.0 110.161 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.95 -48.05 26.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.332 -0.855 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.95 89.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.392 -0.818 . . . . 0.0 110.227 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.48 -31.86 62.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.311 -0.868 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -31.79 65.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -71.31 -31.75 67.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.391 -0.818 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.9 mm 52.66 94.28 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.24 67.21 1.2 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -19.18 60.79 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.301 -1.117 . . . . 0.0 110.472 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.293 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.09 169.61 21.82 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.836 1.44 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -163.57 129.62 3.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.84 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.0 p 47.52 72.6 0.24 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.605 -0.684 . . . . 0.0 110.813 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -57.66 -31.7 66.58 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.307 -0.87 . . . . 0.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 m -53.01 -26.43 15.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.292 -0.88 . . . . 0.0 110.068 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.56 -42.49 58.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.76 -35.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 109.896 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -69.64 -47.91 61.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.815 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.67 -41.87 87.16 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.346 -0.847 . . . . 0.0 110.017 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.72 71.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.855 . . . . 0.0 109.904 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -67.71 -34.97 77.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.447 -0.783 . . . . 0.0 110.158 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -32.38 59.51 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.439 -0.788 . . . . 0.0 110.174 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.33 -29.08 68.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.457 -0.777 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -38.83 -30.19 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.549 -0.719 . . . . 0.0 111.384 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -137.86 38.58 2.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 110.651 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.558 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.9 -45.4 98.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.907 . . . . 0.0 109.87 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.3 Cg_endo -90.67 95.33 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.63 1.331 . . . . 0.0 109.073 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.602 HG22 ' CD2' ' A' ' 16' ' ' LEU . 60.2 t -70.18 -8.72 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.063 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 7.0 ptp180 -47.38 -28.64 2.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.571 -0.705 . . . . 0.0 110.469 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.5 t0 -76.15 -32.24 58.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.723 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.48 -31.67 68.88 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.39 0.614 . . . . 0.0 109.644 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -46.33 51.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.947 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -62.39 -42.36 99.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 109.998 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -44.63 73.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.449 -0.782 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.4 t -62.94 -36.95 85.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.444 -0.785 . . . . 0.0 110.038 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -67.8 -33.97 75.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.322 -0.862 . . . . 0.0 110.021 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -65.24 -44.8 87.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.53 -42.08 95.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.797 . . . . 0.0 110.194 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.27 85.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.149 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -35.08 64.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -73.56 -42.26 61.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.328 -0.857 . . . . 0.0 110.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -39.19 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 110.147 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -71.92 -31.52 66.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.314 -0.867 . . . . 0.0 110.154 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.05 87.76 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.133 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -73.24 -34.95 66.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.306 -0.871 . . . . 0.0 110.134 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -47.56 78.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.349 -0.844 . . . . 0.0 110.082 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -49.01 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.311 -0.868 . . . . 0.0 110.174 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -65.13 -32.77 74.63 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.445 -0.784 . . . . 0.0 110.101 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -70.5 -30.11 66.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.378 -0.826 . . . . 0.0 110.271 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -58.86 3.02 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.387 -0.821 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.418 -0.801 . . . . 0.0 109.613 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 54.41 19.41 2.3 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.596 -0.69 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.12 65.75 2.56 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 42' ' ' THR . 61.9 t -71.81 -10.05 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.314 -1.11 . . . . 0.0 110.462 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.849 ' O ' HD12 ' A' ' 47' ' ' LEU . 4.1 m 58.52 22.12 9.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.202 -0.936 . . . . 0.0 110.008 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.849 HD12 ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -145.82 -43.59 0.21 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.516 -0.74 . . . . 0.0 109.872 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 m -99.2 -35.97 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.444 -0.785 . . . . 0.0 110.228 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -59.61 -39.19 83.43 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.28 -0.887 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.49 -41.55 69.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.361 -0.837 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.56 -45.28 83.96 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.426 -0.796 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.26 -42.15 98.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.381 -0.824 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.19 90.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.6 -38.13 62.69 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -64.7 -31.87 73.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.7 m -62.15 -32.61 73.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.212 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.41 -41.58 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.303 -0.873 . . . . 0.0 110.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.58 -166.82 40.01 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.53 32.73 5.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.444 -1.033 . . . . 0.0 110.265 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.176 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.13 149.1 45.58 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.857 1.451 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.3 ptp -119.27 -163.04 0.95 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 t 53.64 49.35 19.57 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.348 -0.845 . . . . 0.0 110.394 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.2 m -67.12 -31.68 72.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.445 -0.784 . . . . 0.0 110.088 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.6 t -52.92 -26.25 14.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.381 -0.825 . . . . 0.0 110.288 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.4 -52.7 12.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.382 -0.824 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.78 -30.03 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.355 -0.841 . . . . 0.0 110.086 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -73.6 -45.64 51.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.86 -52.89 63.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.348 -0.845 . . . . 0.0 110.235 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.7 -31.37 71.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.464 -0.772 . . . . 0.0 110.316 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 52.7 ttm-85 -66.46 -33.23 75.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.348 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -79.08 -35.59 42.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.297 -0.877 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -29.46 67.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.854 . . . . 0.0 110.766 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -29.28 0.07 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.475 -0.765 . . . . 0.0 111.215 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.736 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -144.12 39.04 1.32 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.927 . . . . 0.0 110.294 179.304 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -52.91 -47.87 93.66 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.009 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.0 Cg_endo -92.09 94.08 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.54 1.284 . . . . 0.0 109.296 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.736 HG22 ' CD2' ' A' ' 16' ' ' LEU . 58.3 t -71.58 -8.6 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.339 -0.851 . . . . 0.0 110.828 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptt180 -47.5 -28.23 2.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.702 -0.623 . . . . 0.0 110.657 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.8 t70 -76.26 -29.45 57.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.927 . . . . 0.0 109.961 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.3 mt-10 -76.15 -31.91 58.81 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.343 0.592 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.12 -33.79 50.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.476 -0.765 . . . . 0.0 110.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -70.17 -46.51 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.353 -0.842 . . . . 0.0 110.179 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.2 -41.76 89.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.432 -0.793 . . . . 0.0 110.071 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -63.4 -41.45 98.75 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.011 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -71.62 -38.05 70.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.407 -0.808 . . . . 0.0 110.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -42.52 91.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.804 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -41.62 90.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.062 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.29 -41.92 72.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 0.0 110.061 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -39.36 94.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.445 -0.784 . . . . 0.0 110.061 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -68.75 -36.13 77.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.376 -0.828 . . . . 0.0 110.201 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -46.45 87.69 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.61 91.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 110.16 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.64 76.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.415 -0.803 . . . . 0.0 110.098 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -67.8 -44.02 78.31 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.074 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.98 -37.57 87.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -62.01 -47.16 86.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.398 -0.814 . . . . 0.0 110.086 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -62.45 -36.69 83.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -47.71 38.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 110.124 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -58.04 6.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.284 -0.885 . . . . 0.0 110.162 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.683 HG22 HG23 ' A' ' 45' ' ' VAL . 6.9 m -55.76 -27.92 53.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.327 -0.858 . . . . 0.0 109.714 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 64.68 11.03 6.44 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.622 -0.674 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.515 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.36 -44.2 2.93 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.683 HG23 HG22 ' A' ' 42' ' ' THR . 11.4 t 69.39 -10.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.313 0 O-C-N 121.596 -0.943 . . . . 0.0 111.263 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.451 ' O ' HD12 ' A' ' 47' ' ' LEU . 5.9 m 58.24 29.37 17.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.008 -1.058 . . . . 0.0 110.287 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 46' ' ' THR . 1.2 mp -127.9 -41.35 1.64 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.033 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -71.61 -43.25 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.075 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.99 -35.97 69.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.368 -0.832 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.85 -33.81 76.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.291 -0.88 . . . . 0.0 110.147 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.94 -38.82 89.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.413 -0.804 . . . . 0.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.15 -34.94 77.26 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.33 92.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.8 -32.98 74.62 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.407 -0.808 . . . . 0.0 110.139 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -69.79 -33.32 72.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.455 -0.778 . . . . 0.0 110.225 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m -60.2 -31.11 69.84 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.367 -0.833 . . . . 0.0 110.19 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 57' ' ' ILE . 1.4 tp -130.99 62.8 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.382 -0.824 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.13 -175.81 14.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -110.13 28.01 9.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.391 -1.064 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.462 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.19 148.25 43.83 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.807 1.425 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -80.12 -4.4 52.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' MET . 1.9 t 66.93 -63.7 0.26 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.523 -0.735 . . . . 0.0 110.842 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 8' ' ' VAL . 60.6 m -56.25 -32.64 64.68 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.19 -0.944 . . . . 0.0 110.678 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -53.35 -26.3 18.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.273 -0.892 . . . . 0.0 110.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.67 -52.99 12.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 110.115 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 5' ' ' THR . 33.1 m -68.49 -25.57 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -66.7 -51.15 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 0.0 110.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.34 -42.78 99.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.321 -0.862 . . . . 0.0 109.995 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -63.07 -33.67 75.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 ttm180 -70.37 -29.87 66.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.372 -0.83 . . . . 0.0 110.088 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -75.0 -32.29 61.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.56 67.07 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.364 -0.835 . . . . 0.0 110.506 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.4 p90 -42.07 -28.1 0.16 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.432 -0.793 . . . . 0.0 110.906 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 27.9 tp -142.47 39.02 1.54 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 0.0 110.088 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.65 -46.9 98.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.271 -0.893 . . . . 0.0 109.707 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -91.54 93.98 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.673 1.354 . . . . 0.0 109.153 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.9 t -72.15 -7.56 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 0.0 110.848 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 3.9 ptm180 -47.29 -28.25 1.9 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.685 -0.635 . . . . 0.0 110.574 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 t70 -70.34 -39.64 74.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 109.437 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -65.22 -39.9 93.38 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.498 0.666 . . . . 0.0 109.357 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.04 -30.85 69.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -62.56 -50.87 69.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 0.0 109.917 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -48.25 81.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 0.0 109.944 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 p -63.73 -35.43 80.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.324 -0.86 . . . . 0.0 109.724 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -70.09 -38.15 75.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 0.0 109.947 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.06 85.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.335 -0.853 . . . . 0.0 110.018 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -61.86 -43.76 98.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.372 -0.83 . . . . 0.0 110.024 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.342 -0.848 . . . . 0.0 110.191 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.321 -0.862 . . . . 0.0 110.127 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.3 p -60.4 -46.19 90.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.199 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -61.11 -47.71 85.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.134 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -32.6 73.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.36 -0.838 . . . . 0.0 110.021 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.99 95.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.407 -0.808 . . . . 0.0 109.994 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -62.0 -53.82 50.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.037 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -58.76 -36.14 73.9 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.432 -0.793 . . . . 0.0 110.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -68.4 -40.45 81.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.928 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -36.06 74.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.417 -0.802 . . . . 0.0 110.008 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -50.51 48.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 0.0 109.999 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -55.01 -27.32 43.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.451 -0.78 . . . . 0.0 110.461 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -53.19 -33.28 52.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.399 -0.813 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 176.63 -30.26 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.448 -0.782 . . . . 0.0 110.407 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.48 -26.93 7.7 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 47' ' ' LEU . 17.5 m -55.07 129.79 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.214 -1.168 . . . . 0.0 109.952 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 46' ' ' THR . 6.6 t -61.94 71.38 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.405 0.621 . . . . 0.0 110.209 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -154.73 -44.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -106.31 -33.76 7.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.511 -0.743 . . . . 0.0 110.067 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -57.25 -30.52 64.71 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.337 -0.852 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.92 -30.89 64.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.397 -0.814 . . . . 0.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.22 -53.65 54.19 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 0.0 110.121 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.81 -34.4 77.83 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.423 -0.798 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.3 90.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -33.63 69.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.449 -0.782 . . . . 0.0 110.012 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -72.67 -31.64 65.23 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.393 -0.817 . . . . 0.0 110.067 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.68 -46.11 87.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.341 -0.849 . . . . 0.0 110.248 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.788 HD13 ' N ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -84.65 132.03 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.492 -0.755 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.788 ' N ' HD13 ' A' ' 57' ' ' ILE . . . 165.54 -85.51 0.1 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.84 33.56 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.333 -1.099 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.42 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.02 80.18 1.88 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.862 1.454 . . . . 0.0 110.432 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.3 ttp -146.31 52.0 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 110.237 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -147.25 78.96 1.49 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.179 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.644 ' O ' HG12 ' A' ' 8' ' ' VAL . 6.9 m -71.05 -31.72 68.23 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.293 -0.88 . . . . 0.0 110.134 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -52.85 -26.29 14.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.0 110.362 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -62.69 -52.76 62.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.477 -0.764 . . . . 0.0 110.327 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 5' ' ' THR . 7.1 p -70.32 -25.17 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.347 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CD ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -72.61 -50.88 22.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 110.194 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.43 -44.34 62.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -35.34 76.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.347 -0.846 . . . . 0.0 110.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -74.82 -30.32 61.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.109 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.0 72.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.854 . . . . 0.0 110.199 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -29.33 67.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.4 -0.812 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.1 p90 -41.66 -27.94 0.12 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.521 -0.737 . . . . 0.0 110.919 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 26.1 tp -139.39 39.48 2.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.3 -0.875 . . . . 0.0 110.318 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.552 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -53.4 -45.7 98.37 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.617 179.245 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.3 Cg_endo -89.56 91.5 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.661 1.348 . . . . 0.0 108.867 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.99 -7.72 9.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 111.022 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 14.5 ptt180 -47.24 -29.02 2.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 12.4 t70 -76.46 -32.39 58.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.907 . . . . 0.0 109.711 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -31.2 68.37 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.381 0.61 . . . . 0.0 109.675 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.19 -45.12 50.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.419 -0.8 . . . . 0.0 109.91 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.93 74.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.343 -0.848 . . . . 0.0 109.998 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.35 -48.12 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.003 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -70.86 -36.45 72.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 110.033 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.26 -36.32 74.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.428 -0.795 . . . . 0.0 110.091 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -69.39 -40.73 77.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.339 -0.85 . . . . 0.0 110.096 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -61.95 -43.77 98.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.079 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.88 70.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.371 -0.83 . . . . 0.0 110.018 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -71.66 -39.99 69.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.366 -0.834 . . . . 0.0 110.114 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -47.85 82.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.858 . . . . 0.0 110.099 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -43.01 99.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.324 -0.86 . . . . 0.0 109.993 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -62.89 -41.84 99.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.505 -0.747 . . . . 0.0 110.084 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.88 -36.14 77.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.409 -0.807 . . . . 0.0 110.144 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -67.14 -38.23 85.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.331 -0.856 . . . . 0.0 110.116 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -32.12 64.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.827 . . . . 0.0 110.017 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.9 p -71.28 -39.52 71.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.408 -0.807 . . . . 0.0 110.152 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -69.16 -37.24 78.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 110.078 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.21 75.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 0.0 110.055 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -58.25 8.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -0.82 . . . . 0.0 110.051 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' GLY . 7.1 p -58.17 -27.77 64.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 0.0 109.7 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.74 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.619 -0.675 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -159.83 -65.27 0.01 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 44' ' ' GLY . 10.0 t 68.7 -11.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.659 -0.907 . . . . 0.0 111.413 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.696 ' O ' HD12 ' A' ' 47' ' ' LEU . 17.8 p 47.99 27.73 1.27 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.173 -0.954 . . . . 0.0 110.75 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -140.42 -52.66 0.49 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.378 -0.826 . . . . 0.0 110.121 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -71.1 -24.81 62.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.81 -33.69 74.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.33 -0.856 . . . . 0.0 110.27 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.35 -39.56 71.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.396 -0.815 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.79 70.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.852 . . . . 0.0 110.203 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.68 -50.49 72.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.89 88.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.375 -0.828 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.67 -31.98 72.97 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 110.176 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -71.01 -50.59 32.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.85 . . . . 0.0 110.188 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p -73.17 -38.12 66.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.45 -0.781 . . . . 0.0 110.152 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' ILE . 15.6 tt -166.06 114.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.388 -0.82 . . . . 0.0 110.169 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -134.96 -142.16 4.54 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -143.82 40.71 1.41 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.372 -1.075 . . . . 0.0 110.201 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.228 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.88 154.64 53.51 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.778 1.409 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 mtt -89.9 90.51 8.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.1 t -132.92 49.15 2.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.445 -0.784 . . . . 0.0 110.252 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 8' ' ' VAL . 56.7 m -68.15 -31.69 71.43 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.328 -0.858 . . . . 0.0 110.179 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -53.53 -26.1 19.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -0.877 . . . . 0.0 110.207 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.36 -52.83 14.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.443 -0.786 . . . . 0.0 110.33 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 5' ' ' THR . 35.6 m -65.57 -25.3 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.351 -0.843 . . . . 0.0 110.342 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -73.68 -39.21 64.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 0.0 110.039 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -44.68 67.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.061 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -61.5 -43.26 99.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.379 -0.826 . . . . 0.0 110.217 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -29.74 69.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -32.09 51.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.448 -0.782 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.14 62.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.425 -0.797 . . . . 0.0 110.693 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 1.7 p90 -43.4 -28.34 0.34 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.426 -0.796 . . . . 0.0 110.499 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.848 ' CD2' HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -144.44 38.85 1.27 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.441 -0.787 . . . . 0.0 109.804 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -51.43 -48.19 86.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.208 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.6 Cg_endo -89.94 89.1 0.35 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.658 1.346 . . . . 0.0 109.257 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.848 HG22 ' CD2' ' A' ' 16' ' ' LEU . 48.2 t -73.91 -8.06 10.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.784 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.7 ptt85 -47.54 -28.85 2.45 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.738 -0.601 . . . . 0.0 110.626 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -76.57 -29.3 56.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.333 -0.855 . . . . 0.0 109.903 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.37 -31.24 60.42 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.285 0.564 . . . . 0.0 109.869 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.19 -40.95 36.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.465 -0.772 . . . . 0.0 110.097 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -44.71 71.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.359 -0.838 . . . . 0.0 110.186 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -39.3 88.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.357 -0.839 . . . . 0.0 110.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -71.71 -32.52 67.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.385 -0.822 . . . . 0.0 110.061 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -71.54 -39.38 70.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.421 -0.799 . . . . 0.0 110.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -71.99 -35.22 69.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.84 -43.25 72.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.388 -0.82 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.63 96.36 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.287 -0.883 . . . . 0.0 110.086 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.84 -32.44 63.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.467 -0.771 . . . . 0.0 110.19 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 t -71.42 -41.04 70.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.42 -0.8 . . . . 0.0 110.151 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -34.2 74.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.44 -0.788 . . . . 0.0 110.134 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -73.85 -38.71 64.4 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.072 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.18 -46.65 64.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.321 -0.862 . . . . 0.0 110.094 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -62.92 -38.52 91.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.65 -41.46 96.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -61.91 -38.78 89.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.14 -40.63 96.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.383 -0.823 . . . . 0.0 110.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.59 -39.85 64.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.334 -0.854 . . . . 0.0 110.234 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -62.83 -27.2 69.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 110.352 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.1 m -53.11 -40.11 63.92 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.34 -0.85 . . . . 0.0 109.817 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 177.59 -39.12 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.494 -0.754 . . . . 0.0 110.105 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' C ' HG23 ' A' ' 45' ' ' VAL . . . 108.47 -33.43 6.23 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' C ' HG22 ' A' ' 46' ' ' THR . 3.8 t 69.57 -10.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 121.698 -0.884 . . . . 0.0 111.391 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.505 HG22 ' C ' ' A' ' 45' ' ' VAL . 9.0 t 36.29 47.83 0.52 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.418 -0.801 . . . . 0.0 111.112 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -154.81 -40.67 0.09 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.706 -0.621 . . . . 0.0 109.847 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.873 ' N ' HD23 ' A' ' 47' ' ' LEU . 18.5 m -80.77 -47.59 13.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.276 -0.89 . . . . 0.0 110.19 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -30.54 61.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.0 -44.7 72.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.435 -0.791 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.5 -45.18 95.31 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.369 -0.832 . . . . 0.0 110.211 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -42.09 96.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.335 -0.853 . . . . 0.0 110.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.69 -32.53 69.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.371 -0.831 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.8 -41.03 92.42 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.364 -0.835 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -72.79 -36.99 67.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.883 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -69.66 -33.35 72.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.357 -0.84 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.7 mt 52.56 92.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.394 -0.816 . . . . 0.0 110.37 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.36 172.68 15.75 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.15 43.28 0.14 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.304 -1.115 . . . . 0.0 110.214 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.245 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.94 169.82 21.23 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 O-C-N 123.75 1.395 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 mtt -102.69 -174.9 2.67 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.362 -0.836 . . . . 0.0 110.235 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.8 m -135.01 22.76 3.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 8' ' ' VAL . 32.4 p -72.24 -31.88 66.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 110.159 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.9 p -53.08 -26.3 15.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.361 -0.837 . . . . 0.0 110.279 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.19 -52.67 62.87 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.434 -0.791 . . . . 0.0 110.216 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 5' ' ' THR . 34.7 m -72.85 -25.46 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.335 -0.853 . . . . 0.0 110.281 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -74.59 -39.75 62.03 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.257 -0.902 . . . . 0.0 110.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.58 -38.01 65.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.205 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -42.77 94.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -0.814 . . . . 0.0 110.039 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -29.71 60.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.167 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -32.13 72.28 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -30.02 34.68 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.325 -0.859 . . . . 0.0 110.549 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 1.9 p90 -41.64 -30.7 0.24 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.405 -0.81 . . . . 0.0 110.586 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 16' ' ' LEU . 29.0 tp -141.33 40.11 1.75 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -52.96 -46.52 97.37 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.959 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.9 Cg_endo -89.76 88.42 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.601 1.316 . . . . 0.0 109.275 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.03 -6.84 9.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.728 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -47.33 -28.67 2.11 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.663 -0.648 . . . . 0.0 110.599 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 t0 -76.41 -31.53 57.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.803 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.89 -30.78 64.22 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.354 0.597 . . . . 0.0 109.804 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -74.8 -44.17 50.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -62.34 -39.13 92.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.37 -0.831 . . . . 0.0 110.052 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.36 -39.84 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.806 . . . . 0.0 110.004 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 m -71.36 -34.61 70.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.361 -0.837 . . . . 0.0 110.128 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -70.13 -44.19 69.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 110.033 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -43.17 83.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.299 -0.876 . . . . 0.0 110.093 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -62.59 -43.65 98.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.41 -0.806 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.7 70.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.082 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.62 -47.62 82.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.1 t -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.443 -0.786 . . . . 0.0 110.093 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -72.73 -36.44 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.089 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -66.18 -38.86 89.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.375 -0.828 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.54 -42.96 81.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -65.58 -43.23 90.39 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -0.839 . . . . 0.0 110.061 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.61 -34.63 74.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.348 -0.845 . . . . 0.0 110.021 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 m -65.81 -45.47 82.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.378 -0.826 . . . . 0.0 110.138 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.97 -33.35 75.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.354 -0.841 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -52.26 23.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.149 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -58.26 6.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.02 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.824 HG22 ' CG2' ' A' ' 45' ' ' VAL . 1.4 m -62.99 -27.84 69.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 109.448 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 63.63 14.43 8.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.578 -0.701 . . . . 0.0 110.904 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.508 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.99 -43.47 2.84 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.824 ' CG2' HG22 ' A' ' 42' ' ' THR . 6.4 t 71.57 -11.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 O-C-N 121.534 -0.98 . . . . 0.0 111.203 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.778 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.3 m 55.95 36.72 27.86 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.964 -1.085 . . . . 0.0 110.416 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 46' ' ' THR . 1.5 mp -136.38 -58.5 0.74 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.149 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 35.6 p -98.83 -27.48 13.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.36 -0.838 . . . . 0.0 110.193 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.45 -30.55 70.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.304 -0.872 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 46' ' ' THR . 3.1 mp -59.09 -39.6 82.69 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.412 -0.805 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -64.2 -41.44 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.358 -0.839 . . . . 0.0 110.216 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -68.87 -42.91 76.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.846 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.62 -37.33 86.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.08 -33.83 76.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.449 -0.782 . . . . 0.0 110.243 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -31.87 65.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.205 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.708 ' HB ' HD12 ' A' ' 57' ' ' ILE . 68.4 m -65.72 -41.72 91.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 110.214 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.708 HD12 ' HB ' ' A' ' 56' ' ' THR . 4.8 mp -117.2 -62.82 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.354 -0.841 . . . . 0.0 110.139 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.73 114.33 1.1 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.53 174.9 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.387 -1.067 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.489 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 4' ' ' SER . 46.9 Cg_endo -73.69 -36.61 3.6 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 O-C-N 123.768 1.404 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mmt 54.83 -87.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 0.0 110.584 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' PRO . 1.2 t 52.62 48.7 21.98 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.102 -0.999 . . . . 0.0 110.509 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -60.41 -31.63 70.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.393 -0.817 . . . . 0.0 110.217 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -53.81 -26.62 24.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.391 -0.818 . . . . 0.0 110.202 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -50.33 13.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.29 -31.77 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.329 -0.857 . . . . 0.0 110.279 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -73.03 -51.08 19.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.86 . . . . 0.0 110.187 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -37.65 84.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.833 . . . . 0.0 110.096 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -69.6 -30.41 68.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -31.12 66.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -0.831 . . . . 0.0 110.194 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -78.61 -32.33 47.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.319 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -29.67 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.378 -0.826 . . . . 0.0 110.625 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -40.56 -29.69 0.1 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.486 -0.759 . . . . 0.0 111.144 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.649 HD21 HG22 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -143.63 38.43 1.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 0.0 110.168 179.444 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -53.12 -47.17 96.83 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.435 -0.791 . . . . 0.0 110.18 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.8 Cg_endo -92.14 94.04 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.552 1.29 . . . . 0.0 109.396 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.649 HG22 HD21 ' A' ' 16' ' ' LEU . 55.3 t -72.66 -8.74 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.701 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.0 ptm180 -47.96 -28.42 2.73 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.692 -0.63 . . . . 0.0 110.51 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.2 t70 -76.23 -29.93 57.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.847 . . . . 0.0 109.836 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -74.3 -32.06 62.73 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.354 0.597 . . . . 0.0 109.69 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -74.51 -39.04 62.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.517 -0.74 . . . . 0.0 109.964 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -43.93 87.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.385 -0.822 . . . . 0.0 110.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.99 -44.84 95.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.387 -0.821 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -66.28 -41.24 90.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 110.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.72 -40.92 97.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.395 -0.816 . . . . 0.0 110.099 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -32.05 73.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.0 110.167 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -44.17 81.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.339 -0.851 . . . . 0.0 110.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.45 76.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -62.44 -37.82 87.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.16 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -71.68 -33.57 68.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -45.01 95.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.397 -0.815 . . . . 0.0 110.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -73.49 -37.05 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -0.793 . . . . 0.0 110.144 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -45.49 66.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.29 -0.881 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.44 -34.89 78.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -0.837 . . . . 0.0 110.085 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.51 -50.43 67.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.168 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -58.29 -38.75 77.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.381 -0.824 . . . . 0.0 110.195 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.55 -40.56 97.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.829 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -73.67 -43.71 58.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.397 -0.815 . . . . 0.0 110.204 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -60.01 -27.23 66.72 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.0 110.358 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -53.08 -35.01 59.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.323 -0.86 . . . . 0.0 109.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.84 176.92 0.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.476 -0.765 . . . . 0.0 110.1 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.35 37.01 93.89 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 46' ' ' THR . 3.6 m -138.58 -47.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -1.092 . . . . 0.0 110.378 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.452 ' H ' HG23 ' A' ' 45' ' ' VAL . 1.7 t -52.35 -20.61 2.87 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.447 -0.783 . . . . 0.0 110.636 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.66 -11.42 12.97 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.691 -0.63 . . . . 0.0 110.723 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 m -124.46 -45.52 1.94 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.094 -1.003 . . . . 0.0 110.364 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' H ' ' HA ' ' A' ' 45' ' ' VAL . 10.5 t0 -58.01 -30.77 66.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.376 -0.827 . . . . 0.0 110.213 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.77 -31.01 71.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 110.044 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -61.06 -51.93 67.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 110.095 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.53 -29.4 70.67 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.425 -0.797 . . . . 0.0 110.024 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.795 ' O ' HG22 ' A' ' 57' ' ' ILE . . . -70.51 -45.96 64.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.35 -0.844 . . . . 0.0 110.212 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.82 -31.5 72.51 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.148 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -72.8 -35.57 67.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -0.834 . . . . 0.0 110.155 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -75.57 -33.78 60.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.316 -0.865 . . . . 0.0 110.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.795 HG22 ' O ' ' A' ' 53' ' ' ALA . 5.3 tt -99.69 37.6 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.368 -0.833 . . . . 0.0 110.152 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.6 -31.15 5.3 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.08 158.31 29.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -1.119 . . . . 0.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.183 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.92 64.6 4.07 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.825 1.434 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 ttt 52.92 73.65 0.34 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.371 -0.831 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 t -97.06 35.53 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 110.145 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -72.25 -31.59 65.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -52.78 -26.56 14.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.372 -0.83 . . . . 0.0 110.207 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -75.23 -48.89 21.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.368 -0.832 . . . . 0.0 110.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.29 -28.26 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.995 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -50.96 51.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.401 -0.812 . . . . 0.0 110.144 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -44.6 96.99 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.315 -0.865 . . . . 0.0 110.076 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -30.33 68.17 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 110.156 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.3 mmm180 -68.14 -30.3 69.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.897 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.86 -41.55 29.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.402 -0.811 . . . . 0.0 110.369 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.71 66.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -41.11 -28.99 0.1 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.58 -0.7 . . . . 0.0 110.853 -179.455 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 19' ' ' VAL . 1.4 tp -141.46 40.2 1.73 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.321 -0.862 . . . . 0.0 110.243 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.547 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -51.52 -46.26 90.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.877 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 17' ' ' THR . 50.4 Cg_endo -88.29 89.11 0.49 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.62 1.326 . . . . 0.0 108.863 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG22 HD23 ' A' ' 16' ' ' LEU . 62.0 t -71.04 -8.39 11.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.007 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 9.2 ptm180 -47.35 -29.12 2.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.607 -0.683 . . . . 0.0 110.432 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.1 t70 -76.41 -32.91 58.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.292 -0.88 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.95 -31.32 70.11 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.33 0.586 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.39 -43.7 48.81 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.557 -0.714 . . . . 0.0 109.963 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -67.68 -41.32 83.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 109.962 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.38 -47.71 80.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.432 -0.793 . . . . 0.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -63.24 -35.53 80.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 0.0 109.984 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -71.74 -35.78 70.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.804 . . . . 0.0 110.126 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -70.63 -39.63 73.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 110.047 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -37.67 87.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.388 -0.82 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.56 71.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.347 -0.846 . . . . 0.0 110.034 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -63.77 -44.14 94.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.381 -0.824 . . . . 0.0 110.023 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -40.55 97.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.84 . . . . 0.0 110.027 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.75 98.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.353 -0.842 . . . . 0.0 110.112 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -44.55 64.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.336 -0.853 . . . . 0.0 110.136 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.66 93.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -62.35 -49.03 77.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.205 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.66 -38.77 87.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.155 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -61.66 -46.77 88.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.41 -0.806 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -62.57 -34.01 76.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -73.62 -35.27 65.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.338 -0.851 . . . . 0.0 110.153 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -73.92 -27.03 60.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.372 -0.83 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -52.75 -30.45 32.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.281 -0.887 . . . . 0.0 109.919 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -175.41 -157.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.42 -0.8 . . . . 0.0 110.27 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . -81.41 -35.12 24.02 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.531 ' O ' HD23 ' A' ' 47' ' ' LEU . 11.0 t 69.32 -11.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.611 -0.935 . . . . 0.0 111.368 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.8 p 48.76 27.25 1.49 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.197 -0.94 . . . . 0.0 110.642 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 45' ' ' VAL . 1.2 mm? -116.0 -66.91 1.04 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.394 -0.816 . . . . 0.0 110.091 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.9 m -81.74 -13.44 57.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.427 -0.796 . . . . 0.0 110.433 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.87 -30.26 61.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.55 -31.01 44.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.39 -0.818 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.91 -42.01 67.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.428 -0.795 . . . . 0.0 110.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.65 -40.79 88.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.429 -0.795 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.66 96.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -67.45 -31.19 71.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.274 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.24 -35.78 76.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.383 -0.823 . . . . 0.0 110.17 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -61.89 -31.19 71.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.339 -0.851 . . . . 0.0 110.22 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mt 53.16 88.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.365 -0.834 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.75 -58.7 0.06 OUTLIER Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 151.67 51.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.388 -1.066 . . . . 0.0 110.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.454 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.17 133.89 20.25 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.79 1.416 . . . . 0.0 110.456 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.62 62.12 6.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.367 -0.833 . . . . 0.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 t -83.28 80.67 9.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.343 -0.848 . . . . 0.0 110.221 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG12 ' A' ' 8' ' ' VAL . 52.3 m -70.4 -31.65 68.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.35 -0.844 . . . . 0.0 110.128 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.8 p -53.56 -26.07 19.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 110.325 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.05 -52.17 66.5 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.361 -0.837 . . . . 0.0 110.44 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 5' ' ' THR . 8.2 p -75.23 -26.01 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.385 -0.822 . . . . 0.0 110.464 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -50.84 16.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.262 -0.899 . . . . 0.0 110.021 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -63.01 -50.93 68.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.449 -0.782 . . . . 0.0 110.173 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -38.86 77.1 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 4.3 tpp180 -63.99 -32.48 74.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.308 -0.87 . . . . 0.0 110.124 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -32.54 47.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.353 -0.842 . . . . 0.0 110.412 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.72 -29.12 67.47 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.325 -0.859 . . . . 0.0 110.712 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -38.42 -30.77 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.561 -0.712 . . . . 0.0 110.822 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD22 HG22 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -149.29 46.55 0.98 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.38 -0.825 . . . . 0.0 109.724 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -51.85 -46.78 92.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.711 -0.618 . . . . 0.0 110.344 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 17' ' ' THR . 51.2 Cg_endo -85.95 82.57 1.44 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.561 1.295 . . . . 0.0 109.285 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.511 HG22 HD22 ' A' ' 16' ' ' LEU . 46.8 t -79.67 -6.61 9.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.748 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 5.3 ptp180 -47.38 -29.09 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.751 -0.593 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -76.61 -32.66 58.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 110.066 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.41 -30.96 57.66 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -35.28 55.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.423 -0.798 . . . . 0.0 110.176 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -39.54 67.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.348 -0.845 . . . . 0.0 110.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -72.14 -35.58 69.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 110.15 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -74.59 -38.65 62.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.398 -0.814 . . . . 0.0 110.17 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.17 -46.77 87.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -71.17 -31.87 68.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.359 -0.838 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -62.75 -41.57 99.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.92 68.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -0.836 . . . . 0.0 110.157 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -73.28 -41.87 63.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.303 -0.873 . . . . 0.0 110.184 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.8 m -63.63 -39.84 95.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.287 -0.883 . . . . 0.0 110.162 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -66.91 -43.9 82.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.379 -0.826 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.73 -42.56 61.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.0 110.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.99 85.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.388 -0.82 . . . . 0.0 110.172 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -38.06 66.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.363 -0.836 . . . . 0.0 110.201 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -73.27 -39.33 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.363 -0.836 . . . . 0.0 110.173 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -52.58 63.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.381 -0.824 . . . . 0.0 110.193 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.63 73.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.53 -43.19 60.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.389 -0.819 . . . . 0.0 110.18 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -58.48 4.62 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.454 -0.779 . . . . 0.0 110.117 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -65.08 -27.95 69.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 109.473 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.43 178.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.394 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.6 -31.43 50.24 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 t 57.65 -123.96 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -1.081 . . . . 0.0 109.568 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 46' ' ' THR . 5.8 t -94.67 27.66 2.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.935 -1.103 . . . . 0.0 108.688 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 47' ' ' LEU . 8.0 tp -107.52 -42.04 4.89 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.377 0.608 . . . . 0.0 109.74 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 m -104.26 -24.09 13.16 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.655 -0.653 . . . . 0.0 109.969 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.04 -36.55 59.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.452 -0.78 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.6 -40.33 94.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.384 -0.822 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.02 -42.92 99.68 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.393 -0.817 . . . . 0.0 110.179 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.65 -38.35 73.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 0.0 110.166 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.48 69.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 0.0 110.206 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.75 -49.35 66.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 110.174 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.83 -54.55 40.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.3 p -61.0 -43.97 98.11 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.34 -0.85 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -121.79 122.79 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.315 -0.866 . . . . 0.0 110.183 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.98 169.8 19.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -84.0 128.69 34.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.385 -1.068 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.477 179.959 . . . . . . . . 0 0 . 1 stop_ save_