data_2ezr_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 2ezr _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 . 021 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -62.36 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.404 -0.81 . . . . 0.0 109.836 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.06 -45.49 92.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.011 -1.056 . . . . 0.0 108.768 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.6 tp -61.84 -44.43 96.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.064 -1.023 . . . . 0.0 108.783 178.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.32 -39.97 96.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.566 -0.708 . . . . 0.0 109.603 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.48 89.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.071 -1.018 . . . . 0.0 108.349 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.514 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -67.4 -48.31 58.47 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 178.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -49.0 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.337 -1.096 . . . . 0.0 109.106 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.68 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.45 -40.37 96.38 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 109.9 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.04 -41.23 91.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 109.375 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.23 -41.52 93.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.075 -1.015 . . . . 0.0 109.236 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.46 -44.06 96.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.164 -0.96 . . . . 0.0 109.249 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.61 -40.74 95.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.14 -0.975 . . . . 0.0 109.048 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.99 -40.54 95.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -0.865 . . . . 0.0 109.008 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.97 -44.37 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.0 -48.7 80.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.983 -179.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.07 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.95 -1.094 . . . . 0.0 108.919 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.09 -49.49 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -0.938 . . . . 0.0 108.517 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.02 -40.5 93.79 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -60.47 -39.94 89.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.663 -0.648 . . . . 0.0 109.759 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.08 -40.0 88.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 109.165 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.96 -44.8 94.19 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.085 -1.01 . . . . 0.0 108.993 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.87 -44.75 96.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.978 -1.076 . . . . 0.0 109.037 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.47 -41.61 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 109.501 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 31' ' ' THR . 17.0 mt -59.99 -40.22 88.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 109.831 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.7 91.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 109.426 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.6 mt -61.79 -41.36 97.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.073 -1.017 . . . . 0.0 109.521 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.487 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 73.4 p -63.51 -40.1 96.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' N ' ' HG1' ' A' ' 31' ' ' THR . 70.6 t -61.06 -40.13 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.333 -0.854 . . . . 0.0 108.919 179.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -59.98 -43.37 95.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.41 -0.806 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.24 86.93 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.127 -1.219 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -60.6 -39.97 90.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.089 -1.007 . . . . 0.0 110.66 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.684 HD22 HH21 ' A' ' 41' ' ' ARG . 42.4 t30 -60.0 -40.73 90.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.95 -1.094 . . . . 0.0 109.547 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.42 -39.95 89.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.073 -1.017 . . . . 0.0 109.164 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.06 -41.6 92.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.308 -0.87 . . . . 0.0 109.768 -179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.436 ' O ' ' OG1' ' A' ' 43' ' ' THR . 60.3 p -60.08 -40.92 91.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.89 -1.131 . . . . 0.0 108.643 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.684 HH21 HD22 ' A' ' 37' ' ' ASN . 87.0 mtt180 -66.19 -40.0 90.09 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.112 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -40.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.385 -0.822 . . . . 0.0 109.378 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 40' ' ' THR . 69.0 p -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.044 -1.035 . . . . 0.0 109.006 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.04 82.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.814 -1.179 . . . . 0.0 109.72 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.53 -41.6 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.071 -1.018 . . . . 0.0 111.053 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.25 -40.01 94.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.569 -1.332 . . . . 0.0 108.532 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.98 -45.49 92.55 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.195 179.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.6 m-85 -62.48 -39.93 95.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 178.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.66 -39.18 83.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.949 -1.094 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -39.89 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.871 -1.143 . . . . 0.0 108.83 178.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.03 -39.12 84.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.273 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.637 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 2.2 mp0 -59.92 -39.81 86.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.0 109.082 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.89 80.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.849 -1.157 . . . . 0.0 108.266 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.229 -0.92 . . . . 0.0 109.079 179.677 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.636 ' ND2' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.18 127.75 40.2 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -79.95 110.25 15.15 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.852 -1.155 . . . . 0.0 107.922 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.8 135.76 37.17 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.722 0.772 . . . . 0.0 109.743 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.448 ' CB ' HD21 ' A' ' 82' ' ' ASN . 9.3 t -91.43 116.08 65.72 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.689 -0.632 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.87 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.533 1.489 . . . . 0.0 114.274 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.33 -42.17 2.37 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.703 ' HE1' ' ND2' ' A' ' 82' ' ' ASN . 4.2 p90 -59.8 -49.17 78.75 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.332 -1.48 . . . . 0.0 113.098 -175.313 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.703 ' ND2' ' HE1' ' A' ' 81' ' ' TRP . 83.8 m-20 -72.99 -45.72 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 119.853 -1.78 . . . . 0.0 110.628 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.897 -1.127 . . . . 0.0 110.993 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.28 -42.25 88.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.699 -1.25 . . . . 0.0 109.63 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 81' ' ' TRP . 77.5 p -70.04 -40.0 75.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.218 -0.926 . . . . 0.0 110.117 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.408 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 27.9 t-105 -68.85 -40.19 79.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.472 -179.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.16 -42.46 94.97 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.425 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.08 -41.34 98.07 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 108.914 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.431 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 55.9 t90 -60.03 -49.99 75.5 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.379 -0.825 . . . . 0.0 109.513 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.07 -40.03 96.46 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.333 -0.854 . . . . 0.0 109.454 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.48 -41.92 99.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.291 -0.88 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.02 -43.37 95.3 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.703 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.19 -41.79 90.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -43.53 95.14 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.983 . . . . 0.0 110.426 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.14 -40.06 78.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.759 -1.213 . . . . 0.0 108.915 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.53 -43.74 93.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.399 -0.813 . . . . 0.0 109.704 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.55 -43.76 96.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.748 -1.22 . . . . 0.0 109.573 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.32 -40.18 93.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.832 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -64.95 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.432 -0.793 . . . . 0.0 109.873 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.19 -40.24 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.063 -1.023 . . . . 0.0 109.739 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -62.06 -40.66 96.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.071 -1.018 . . . . 0.0 109.287 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.38 82.01 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.236 -0.915 . . . . 0.0 109.753 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.54 -39.93 94.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.16 -0.962 . . . . 0.0 109.7 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.61 -41.92 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.037 -1.04 . . . . 0.0 109.059 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.14 -45.59 94.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.602 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.33 -39.99 89.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -0.856 . . . . 0.0 108.999 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.97 97.85 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.399 -0.813 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -49.75 76.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.044 -1.035 . . . . 0.0 109.207 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.07 -50.03 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.872 . . . . 0.0 109.039 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.5 tt0 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.454 -0.779 . . . . 0.0 109.923 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.02 -46.58 89.01 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.821 -179.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -39.98 92.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.03 -1.044 . . . . 0.0 109.493 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -65.91 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.111 -0.993 . . . . 0.0 110.222 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.42 -41.53 98.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.811 -1.181 . . . . 0.0 109.842 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.328 179.694 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -62.37 -40.05 95.17 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.557 -0.714 . . . . 0.0 109.892 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 9.3 t -60.02 -45.59 92.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.023 -1.048 . . . . 0.0 108.79 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.9 tp -61.78 -43.93 97.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 108.915 178.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.85 -39.96 95.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.519 -0.738 . . . . 0.0 109.526 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.118 -0.989 . . . . 0.0 108.453 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.518 ' O ' ' NE2' ' C' ' 110' ' ' GLN . . . -67.91 -48.23 55.8 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -49.17 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.321 -1.105 . . . . 0.0 109.133 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.07 -45.71 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.004 -1.06 . . . . 0.0 108.678 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.53 -40.34 96.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.276 -0.89 . . . . 0.0 109.934 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.99 -41.49 92.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.308 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.251 -0.906 . . . . 0.0 109.288 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.19 -41.04 96.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.104 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -40.65 95.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.99 -44.31 94.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.08 -48.68 80.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.439 -0.788 . . . . 0.0 109.923 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.99 -40.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 0.0 108.972 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.48 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 108.534 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.09 -40.4 93.58 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.41 -40.07 89.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.642 -0.661 . . . . 0.0 109.722 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.107 -0.996 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.96 -44.87 94.16 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.196 -0.94 . . . . 0.0 108.883 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.85 -44.76 96.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.965 -1.084 . . . . 0.0 109.137 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.47 -41.69 94.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.477 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.409 ' O ' ' OG1' ' B' ' 31' ' ' THR . 16.9 mt -59.99 -40.27 88.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.786 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.09 -40.84 91.01 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.16 -0.962 . . . . 0.0 109.42 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -61.59 -41.68 97.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.047 -1.033 . . . . 0.0 109.558 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.496 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 71.5 p -63.39 -40.0 96.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.429 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.496 ' N ' ' HG1' ' B' ' 31' ' ' THR . 68.0 t -61.08 -40.04 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 108.947 179.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -59.99 -43.26 95.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.64 -47.93 88.53 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.11 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.112 . . . . 0.0 110.217 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.52 -40.05 90.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.981 -1.074 . . . . 0.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.693 HD22 HH21 ' B' ' 41' ' ' ARG . 42.2 t30 -59.97 -40.65 89.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.862 -1.149 . . . . 0.0 109.534 -179.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.53 -39.93 89.64 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -41.46 92.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 0.0 109.699 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' B' ' 43' ' ' THR . 70.3 p -60.11 -41.15 91.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.009 -1.057 . . . . 0.0 108.586 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.693 HH21 HD22 ' B' ' 37' ' ' ASN . 87.1 mtt180 -66.06 -40.04 90.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.351 -0.843 . . . . 0.0 109.399 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 40' ' ' THR . 68.1 p -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.957 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.12 83.06 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.81 -1.181 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.54 -41.61 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.996 -1.065 . . . . 0.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.23 -39.92 94.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.53 -1.357 . . . . 0.0 108.529 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -45.53 92.58 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.196 179.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.543 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 35.7 m-85 -62.35 -39.94 94.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.66 -39.35 84.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.873 -1.142 . . . . 0.0 108.868 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.921 -1.112 . . . . 0.0 108.743 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.01 -39.07 84.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.657 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 2.1 mp0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.098 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.81 79.87 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.836 -1.165 . . . . 0.0 108.254 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 0.0 109.093 179.689 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.637 ' ND2' ' NE2' ' A' ' 52' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.98 127.77 39.94 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 10.3 p -80.16 110.37 15.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.3 mt -78.98 135.94 37.07 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.707 0.765 . . . . 0.0 109.78 -178.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.459 ' CB ' HD21 ' B' ' 82' ' ' ASN . 8.9 t -91.43 115.99 65.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -89.82 -47.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.405 1.403 . . . . 0.0 114.211 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.47 -42.23 2.35 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -176.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.71 ' HE1' ' ND2' ' B' ' 82' ' ' ASN . 4.2 p90 -59.78 -49.1 79.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.305 -1.497 . . . . 0.0 113.016 -175.251 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.71 ' ND2' ' HE1' ' B' ' 81' ' ' TRP . 84.2 m-20 -73.07 -45.68 55.95 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.778 -1.827 . . . . 0.0 110.6 -179.342 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.881 -1.137 . . . . 0.0 110.98 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.745 -1.222 . . . . 0.0 109.7 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 81' ' ' TRP . 75.1 p -70.16 -40.02 74.97 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.213 -0.929 . . . . 0.0 110.096 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.419 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 28.1 t-105 -69.0 -39.96 79.03 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 118.652 -1.219 . . . . 0.0 109.478 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.52 -42.38 96.33 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.706 -1.197 . . . . 0.0 108.405 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.01 -41.5 98.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 108.794 178.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.431 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 55.7 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.525 -0.735 . . . . 0.0 109.411 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.96 -39.99 96.35 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.259 -0.901 . . . . 0.0 109.547 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -62.64 -41.73 99.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 110.354 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.94 -43.66 94.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.784 -1.198 . . . . 0.0 108.657 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.86 -42.04 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.358 -0.839 . . . . 0.0 109.032 178.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 62.2 t0 -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.975 . . . . 0.0 110.55 -179.104 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 -39.97 78.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.678 -1.264 . . . . 0.0 109.01 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.51 -43.67 93.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.424 -0.798 . . . . 0.0 109.59 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -44.26 96.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.885 -1.134 . . . . 0.0 109.497 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.88 -40.19 92.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.295 -0.878 . . . . 0.0 109.368 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.365 -0.834 . . . . 0.0 109.945 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.14 -40.31 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.101 -1.0 . . . . 0.0 109.689 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.5 -40.22 96.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.943 -1.098 . . . . 0.0 109.272 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.51 81.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.3 -0.875 . . . . 0.0 109.74 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.38 -40.02 95.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.613 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.62 -42.09 91.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 109.12 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.67 -46.19 91.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.333 -0.855 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.97 -39.85 90.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.309 -0.87 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.85 98.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.338 -0.851 . . . . 0.0 109.394 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.075 -1.016 . . . . 0.0 109.351 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.09 -50.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.876 . . . . 0.0 109.1 179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.6 tt0 -61.01 -39.96 91.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.509 -0.745 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.08 -46.33 89.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.859 . . . . 0.0 109.783 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.73 -40.0 91.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.009 -1.057 . . . . 0.0 109.586 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -65.79 -40.01 91.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.047 -1.033 . . . . 0.0 110.166 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.56 -42.0 99.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.806 -1.184 . . . . 0.0 109.703 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.487 1.401 0 O-C-N 121.172 -0.955 . . . . 0.0 109.479 179.735 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -62.31 -40.02 94.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.524 -0.735 . . . . 0.0 109.851 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 9.1 t -59.94 -45.75 91.61 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 108.742 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.8 tp -61.62 -44.31 97.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.141 -0.974 . . . . 0.0 108.882 178.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.49 -39.92 95.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 0.0 109.622 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.96 87.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.007 -1.058 . . . . 0.0 108.41 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . 0.487 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -68.05 -48.25 54.82 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.14 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.507 -0.996 . . . . 0.0 109.167 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.03 -45.78 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 108.686 179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.43 -40.43 96.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.02 -41.35 91.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.118 -0.989 . . . . 0.0 109.283 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.99 -41.91 93.08 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.068 -1.02 . . . . 0.0 109.157 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.38 -44.07 96.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.217 -0.927 . . . . 0.0 109.214 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.42 -40.82 95.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.147 -0.971 . . . . 0.0 109.007 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.0 -40.47 94.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.817 . . . . 0.0 109.003 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.03 -48.65 80.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 0.0 109.981 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.99 -40.96 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 108.943 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.92 -49.44 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.0 108.59 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -61.12 -40.53 94.12 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.678 -0.639 . . . . 0.0 109.795 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.172 -0.955 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.04 -45.03 94.18 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.115 -0.99 . . . . 0.0 108.881 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.48 -45.15 94.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.999 -1.063 . . . . 0.0 109.044 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.15 -41.87 93.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.433 -0.792 . . . . 0.0 109.535 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.426 ' O ' ' OG1' ' C' ' 31' ' ' THR . 16.6 mt -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.799 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.087 -1.008 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.431 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -61.36 -41.79 97.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 109.536 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 73.9 p -63.19 -40.18 96.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.441 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.484 ' N ' ' HG1' ' C' ' 31' ' ' THR . 71.6 t -61.07 -39.96 84.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.266 -0.896 . . . . 0.0 109.006 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.98 -43.33 95.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 0.0 110.261 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -48.08 87.77 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -50.04 75.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -1.202 . . . . 0.0 110.245 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.48 -40.01 89.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.047 -1.033 . . . . 0.0 110.656 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.704 HD22 HH21 ' C' ' 41' ' ' ARG . 42.3 t30 -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.919 -1.113 . . . . 0.0 109.624 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.6 -39.93 89.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.042 -1.036 . . . . 0.0 109.155 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.09 -41.22 92.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 0.0 109.803 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' C' ' 43' ' ' THR . 69.6 p -60.22 -41.21 92.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.876 -1.14 . . . . 0.0 108.52 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.704 HH21 HD22 ' C' ' 37' ' ' ASN . 87.3 mtt180 -66.01 -40.01 90.75 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.59 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.45 -0.781 . . . . 0.0 109.343 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' C' ' 40' ' ' THR . 69.3 p -59.91 -40.05 87.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.997 -1.064 . . . . 0.0 109.148 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.88 82.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 109.553 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.404 HD11 HG22 ' C' ' 45' ' ' ILE . 83.3 mt -61.72 -41.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 0.0 111.057 -179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.31 -40.04 94.99 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.539 -1.351 . . . . 0.0 108.553 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.0 -45.24 93.39 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 118.952 -1.099 . . . . 0.0 108.205 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.551 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.7 m-85 -62.69 -40.06 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.603 178.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.58 -39.31 83.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.923 -1.111 . . . . 0.0 108.913 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.816 -1.178 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.97 -39.4 85.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.162 -0.961 . . . . 0.0 109.115 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 2.1 mp0 -59.71 -39.91 86.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.07 -1.019 . . . . 0.0 109.148 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.92 79.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.766 -1.209 . . . . 0.0 108.238 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.125 179.718 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.657 ' ND2' ' NE2' ' B' ' 52' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.19 127.9 40.3 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p -80.01 110.35 15.31 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.836 -1.165 . . . . 0.0 107.951 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.94 136.04 37.13 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.68 0.752 . . . . 0.0 109.791 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.457 ' CB ' HD21 ' C' ' 82' ' ' ASN . 9.1 t -91.59 116.03 65.66 Favored Pre-proline 0 N--CA 1.49 1.568 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -89.76 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.361 1.374 . . . . 0.0 114.216 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.41 -42.33 2.35 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.698 ' HE1' ' ND2' ' C' ' 82' ' ' ASN . 4.1 p90 -59.71 -48.73 80.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.36 -1.462 . . . . 0.0 113.045 -175.188 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.698 ' ND2' ' HE1' ' C' ' 81' ' ' TRP . 84.0 m-20 -73.36 -45.79 52.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 119.833 -1.792 . . . . 0.0 110.598 -179.304 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.1 -49.95 75.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.94 -1.1 . . . . 0.0 110.884 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.26 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.671 -1.268 . . . . 0.0 109.753 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 85' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' C' ' 81' ' ' TRP . 75.6 p -70.11 -39.92 75.2 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.02 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -69.1 -40.0 78.63 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.514 -178.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.36 -42.36 95.63 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.429 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.98 -41.3 97.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.317 -0.865 . . . . 0.0 108.881 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.5 t90 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.544 -0.723 . . . . 0.0 109.487 179.541 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.06 96.52 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.365 -0.834 . . . . 0.0 109.465 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.42 -41.97 99.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.208 -0.932 . . . . 0.0 110.37 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.88 -43.53 94.69 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.779 -1.201 . . . . 0.0 108.611 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.85 -42.11 91.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 61.8 t0 -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.504 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.99 -39.98 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.78 -1.2 . . . . 0.0 109.009 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.58 -43.78 92.76 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 109.684 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.37 -44.03 95.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.859 -1.15 . . . . 0.0 109.52 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.04 -40.24 92.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.3 -0.875 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.98 -40.02 94.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.854 . . . . 0.0 109.86 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.15 -40.14 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.0 -1.062 . . . . 0.0 109.684 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.0 p -62.48 -40.28 96.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.968 -1.083 . . . . 0.0 109.313 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.04 83.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.231 -0.918 . . . . 0.0 109.71 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.63 -39.97 94.64 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.13 -0.981 . . . . 0.0 109.741 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.8 -41.88 91.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.044 -1.035 . . . . 0.0 108.989 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -45.9 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.635 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.1 -39.98 90.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.258 -0.901 . . . . 0.0 109.017 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.96 97.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.297 -0.877 . . . . 0.0 109.354 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.02 -49.91 75.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.13 -50.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.13 -0.981 . . . . 0.0 109.012 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 9' ' ' GLY . 63.4 tt0 -60.75 -40.13 91.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.465 -0.772 . . . . 0.0 110.024 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.96 -45.96 90.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 109.858 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.23 -40.05 90.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.98 -1.075 . . . . 0.0 109.529 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -65.68 -40.09 91.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.084 -1.01 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.41 -41.78 98.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.794 -1.192 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.942 . . . . 0.0 109.318 179.821 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -66.18 -39.61 89.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.427 -0.796 . . . . 0.0 109.037 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.93 -42.38 93.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.139 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.8 tp -60.09 -44.53 94.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 108.844 179.142 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.09 -39.77 87.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.554 -0.716 . . . . 0.0 109.683 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.02 87.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.044 -1.035 . . . . 0.0 108.592 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.2 -47.02 55.42 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 10' ' ' ILE . 96.8 mt -60.06 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -1.1 . . . . 0.0 109.911 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.19 -41.44 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.35 -40.87 92.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.491 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.6 tp-100 -60.11 -40.75 90.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.272 -0.893 . . . . 0.0 109.666 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.07 -41.59 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.974 . . . . 0.0 109.285 -179.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.21 -40.9 95.69 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -0.976 . . . . 0.0 109.439 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.0 mt-30 -64.14 -40.06 95.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.51 -41.56 98.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.19 -0.944 . . . . 0.0 109.499 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.85 -42.09 97.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.263 -0.898 . . . . 0.0 109.102 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.0 -46.98 87.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.156 -0.965 . . . . 0.0 110.105 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.8 t -59.99 -40.09 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.608 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.0 -43.85 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.197 -0.94 . . . . 0.0 108.835 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.17 -41.23 92.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.564 -0.71 . . . . 0.0 109.281 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 23' ' ' ARG . 52.4 mtt-85 -60.64 -39.95 90.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.125 -0.984 . . . . 0.0 108.6 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.95 -47.33 86.24 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.094 -1.004 . . . . 0.0 109.313 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.01 -41.27 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.016 -1.053 . . . . 0.0 109.675 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.27 -40.01 94.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.177 -0.952 . . . . 0.0 109.244 179.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' OG1' ' A' ' 31' ' ' THR . 18.2 mt -60.04 -40.29 88.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 108.934 179.106 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.44 -40.45 91.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.1 mt -63.45 -40.69 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.967 -1.083 . . . . 0.0 109.325 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 77.0 p -64.05 -40.05 95.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.105 -0.997 . . . . 0.0 109.185 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 54.4 t -60.53 -40.03 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.393 -0.817 . . . . 0.0 109.278 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.11 -40.75 90.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.226 -0.921 . . . . 0.0 109.639 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.7 97.0 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.85 -1.382 . . . . 0.0 109.324 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.3 mttp -61.36 -39.95 92.49 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.421 178.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -59.93 -40.46 88.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.433 -0.792 . . . . 0.0 109.697 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.09 -40.06 88.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.934 -1.104 . . . . 0.0 108.782 179.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.99 -39.52 85.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.431 -0.793 . . . . 0.0 108.862 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 45.7 p -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.746 -1.221 . . . . 0.0 108.897 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.538 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.6 mtt-85 -62.86 -40.04 96.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.684 -1.26 . . . . 0.0 108.397 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.64 -41.11 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.626 -0.671 . . . . 0.0 109.726 -179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 40' ' ' THR . 62.9 p -59.93 -40.03 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.898 -1.126 . . . . 0.0 109.334 -179.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.84 85.23 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.116 -0.99 . . . . 0.0 108.708 179.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.68 -39.94 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.752 -0.592 . . . . 0.0 109.805 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 108.691 -179.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.33 -45.41 94.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.485 -0.759 . . . . 0.0 109.567 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.1 m-85 -64.73 -39.99 94.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD21 HE22 ' C' ' 52' ' ' GLN . 83.5 mt -59.95 -39.94 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.952 -1.093 . . . . 0.0 108.924 -179.597 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.142 . . . . 0.0 108.649 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.01 -41.17 91.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.556 -0.715 . . . . 0.0 109.776 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.436 HE22 HD21 ' B' ' 49' ' ' LEU . 25.3 mt-30 -60.89 -39.93 91.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.195 -0.941 . . . . 0.0 109.835 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.5 75.69 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.819 -1.176 . . . . 0.0 107.885 179.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.033 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 8.6 t-20 . . . . . 0 N--CA 1.498 1.971 0 CA-C-O 121.903 0.859 . . . . 0.0 108.885 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.29 122.54 35.79 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -86.06 101.03 12.59 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.487 0.66 . . . . 0.0 109.561 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 78' ' ' THR . 12.2 t -96.51 112.26 59.54 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -91.05 -48.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.214 0 C-N-CA 121.455 1.436 . . . . 0.0 114.124 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.33 -44.94 2.24 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.1 p90 -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.155 -1.591 . . . . 0.0 112.379 -175.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 14.0 t-20 -79.26 -37.8 37.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.079 -1.638 . . . . 0.0 109.709 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.97 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.193 -0.942 . . . . 0.0 109.777 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.98 -40.93 97.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.897 -1.127 . . . . 0.0 109.364 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.1 p -67.52 -40.06 85.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.157 -0.964 . . . . 0.0 109.445 179.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 54.1 t-105 -63.81 -39.99 95.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.025 . . . . 0.0 109.316 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.22 -40.48 90.29 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.046 -1.033 . . . . 0.0 109.132 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.54 -40.76 92.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.026 -1.046 . . . . 0.0 108.759 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.401 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 56.2 t90 -60.04 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.199 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.39 -42.35 98.58 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 179.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' A' ' 91' ' ' ARG . 42.6 mtt-85 -61.73 -40.19 94.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.22 -42.83 99.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.738 -1.226 . . . . 0.0 109.575 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.16 -40.48 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.041 -1.037 . . . . 0.0 108.719 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -60.72 -43.16 98.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.477 -0.764 . . . . 0.0 110.532 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.61 -39.96 80.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.809 -1.182 . . . . 0.0 109.725 -179.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.03 -40.27 82.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.162 -0.961 . . . . 0.0 108.867 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.04 -48.32 82.2 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.355 -0.841 . . . . 0.0 109.17 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.08 -42.23 94.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.348 -0.845 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -63.28 -40.04 96.28 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.35 -0.844 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.39 -40.43 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -61.43 -41.34 97.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.05 75.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 109.446 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.12 -42.9 99.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.042 -1.036 . . . . 0.0 109.463 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.06 -47.38 86.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.175 -0.953 . . . . 0.0 108.642 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -49.59 77.08 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.086 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.83 -41.9 96.67 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.33 97.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 110.074 -179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.16 -43.85 98.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 109.53 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.13 -50.01 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.299 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.03 94.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 0.0 110.057 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.145 -0.972 . . . . 0.0 109.762 -179.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.87 -40.0 95.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.08 -1.013 . . . . 0.0 109.589 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.44 -40.07 95.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.204 -0.935 . . . . 0.0 109.795 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.28 -42.8 99.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.487 1.421 0 O-C-N 121.053 -1.03 . . . . 0.0 108.405 179.125 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.28 -39.63 89.54 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.43 -0.794 . . . . 0.0 109.048 179.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.0 t -60.07 -42.29 94.23 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 109.142 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.3 tp -60.04 -44.69 94.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 108.79 179.123 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.373 -0.829 . . . . 0.0 109.602 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.0 85.92 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.022 -1.049 . . . . 0.0 108.71 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.83 55.31 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -49.93 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -1.075 . . . . 0.0 109.942 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.36 -41.73 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 109.503 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.08 -40.96 91.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.204 -0.935 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.507 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.6 tp-100 -60.06 -40.52 89.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 0.0 109.769 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 109.41 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.26 -40.5 94.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.414 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.507 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 26.9 mt-30 -64.51 -39.98 94.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.59 -41.6 98.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 0.0 109.474 179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.66 -42.09 96.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.368 -0.833 . . . . 0.0 109.2 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.16 -46.78 88.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.061 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -60.11 -40.1 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.077 -1.015 . . . . 0.0 109.478 -179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.04 -44.05 93.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.218 -0.926 . . . . 0.0 108.937 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -41.22 91.87 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.539 -0.726 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -60.61 -40.02 90.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 109.941 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.651 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.89 -47.44 85.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.185 -0.947 . . . . 0.0 109.229 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.89 -41.25 99.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.014 -1.054 . . . . 0.0 109.738 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.1 tp -62.33 -40.02 95.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 109.304 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' B' ' 31' ' ' THR . 18.6 mt -60.02 -40.52 89.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.154 -0.967 . . . . 0.0 109.111 179.007 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.1 -40.92 91.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.448 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.9 mt -63.01 -40.92 99.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.895 -1.128 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 80.1 p -63.93 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.245 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.527 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 54.4 t -60.63 -40.01 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.307 -0.871 . . . . 0.0 109.295 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -60.02 -40.79 90.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.488 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.65 97.04 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.563 -1.303 . . . . 0.0 109.969 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.09 -49.96 75.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.852 -1.381 . . . . 0.0 109.234 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.527 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.4 mttp -61.33 -40.01 92.65 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.26 -0.9 . . . . 0.0 109.523 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -60.0 -40.44 89.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.42 -0.8 . . . . 0.0 109.68 -178.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.922 -1.111 . . . . 0.0 108.875 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.04 -39.47 86.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' B' ' 43' ' ' THR . 45.1 p -59.93 -41.61 92.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.69 -1.256 . . . . 0.0 108.906 -179.339 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.555 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.5 mtt-85 -63.07 -39.97 96.29 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.457 -1.297 . . . . 0.0 108.34 178.335 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.59 -41.07 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.52 -0.737 . . . . 0.0 109.814 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.0 p -59.99 -39.97 87.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.97 -1.081 . . . . 0.0 109.27 -179.466 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.61 85.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 108.745 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.84 -39.98 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.635 -0.665 . . . . 0.0 109.702 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.97 -40.07 87.84 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.155 -0.966 . . . . 0.0 108.654 -179.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.41 -45.25 95.11 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.696 -0.801 . . . . 0.0 109.548 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.7 m-85 -64.72 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.436 HD21 HE22 ' A' ' 52' ' ' GLN . 83.6 mt -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.975 -1.078 . . . . 0.0 108.839 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -62.84 -39.99 96.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.815 -1.178 . . . . 0.0 108.665 178.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.0 -41.05 91.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.507 -0.746 . . . . 0.0 109.85 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.427 HE22 HD21 ' C' ' 49' ' ' LEU . 25.4 mt-30 -60.92 -39.95 91.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.773 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.41 75.32 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 120.838 -1.164 . . . . 0.0 107.877 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 C--N 1.304 -1.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.015 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 8.8 t-20 . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 121.855 0.836 . . . . 0.0 108.798 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.41 122.73 36.13 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.443 ' OG ' ' OH ' ' A' ' 48' ' ' TYR . 1.5 m -86.32 100.85 12.58 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 mt -84.61 133.44 34.42 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.498 0.666 . . . . 0.0 109.539 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' B' ' 78' ' ' THR . 12.4 t -96.25 112.48 59.9 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -91.07 -49.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.52 1.48 . . . . 0.0 114.104 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -122.03 -45.01 2.27 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.663 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.1 p90 -59.82 -52.89 63.54 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.162 -1.586 . . . . 0.0 112.389 -175.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.663 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 14.2 t-20 -79.18 -37.73 37.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 119.933 -1.729 . . . . 0.0 109.649 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' B' ' 78' ' ' THR . 17.4 m120 -60.02 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.12 -0.988 . . . . 0.0 109.795 -179.514 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.14 -41.0 97.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.921 -1.112 . . . . 0.0 109.281 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -67.55 -39.93 84.96 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.179 -0.951 . . . . 0.0 109.385 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 54.2 t-105 -63.74 -40.0 95.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.97 -1.081 . . . . 0.0 109.35 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.23 -40.57 90.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.955 -1.09 . . . . 0.0 108.994 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -40.95 92.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.76 178.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.417 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 56.5 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.367 -0.833 . . . . 0.0 109.185 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.43 -42.2 98.38 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.211 -0.931 . . . . 0.0 109.767 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' B' ' 91' ' ' ARG . 43.1 mtt-85 -61.62 -40.68 95.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 110.616 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.83 -42.75 98.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.682 -1.261 . . . . 0.0 109.672 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.49 -40.39 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.04 -1.037 . . . . 0.0 108.66 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.63 -43.24 97.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.51 -0.744 . . . . 0.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.46 -40.1 81.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.864 -1.147 . . . . 0.0 109.637 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -40.0 83.04 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.92 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.01 -48.52 81.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.286 -0.884 . . . . 0.0 109.111 179.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.03 -42.21 93.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.175 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -63.56 -40.05 95.98 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.222 -0.924 . . . . 0.0 109.461 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.1 -40.54 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 109.202 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 -41.1 96.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.082 -1.011 . . . . 0.0 109.666 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.57 77.12 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.121 -0.987 . . . . 0.0 109.584 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.68 -42.73 99.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.12 -47.43 85.93 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.557 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -49.49 77.46 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.418 -0.801 . . . . 0.0 109.078 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.75 -41.81 96.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.507 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.22 99.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 0.0 110.065 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.14 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.983 -1.073 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.314 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.24 -40.06 93.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.03 -49.63 76.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 0.0 109.813 -179.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.01 -40.12 95.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.006 -1.059 . . . . 0.0 109.561 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.33 -40.07 95.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.898 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.39 -42.59 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.035 -1.04 . . . . 0.0 109.95 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 108.417 179.129 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.561 0.696 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.13 -39.86 90.19 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 15.0 t -59.88 -42.43 93.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.29 -0.881 . . . . 0.0 109.113 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.438 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.5 tp -60.03 -44.6 94.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.713 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.05 -39.85 87.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.816 . . . . 0.0 109.631 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.987 -1.07 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.23 -46.98 55.39 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 178.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.418 HG22 HD11 ' C' ' 10' ' ' ILE . 96.8 mt -60.03 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.356 -1.085 . . . . 0.0 109.88 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.35 -41.62 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.413 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.6 tp-100 -60.06 -40.71 90.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.03 -41.73 92.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.091 -1.005 . . . . 0.0 109.248 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.09 -40.94 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.448 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.502 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.0 mt-30 -63.98 -40.26 95.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.641 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -63.45 -41.46 98.65 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.189 -0.945 . . . . 0.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.79 -42.05 96.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.154 -0.966 . . . . 0.0 109.315 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.97 -47.04 87.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 0.0 110.037 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.0 -40.12 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 109.65 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -43.96 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.279 -0.888 . . . . 0.0 108.803 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.06 -41.29 92.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.596 -0.69 . . . . 0.0 109.234 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -60.59 -39.99 90.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 109.915 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.05 -39.87 87.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.118 -0.989 . . . . 0.0 108.623 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -60.07 -46.84 88.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.354 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.9 98.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.179 -0.951 . . . . 0.0 109.27 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' C' ' 31' ' ' THR . 18.3 mt -60.01 -40.42 89.19 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.029 178.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.11 -41.09 99.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 77.3 p -63.91 -40.01 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.165 -0.96 . . . . 0.0 109.252 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.535 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 54.3 t -60.35 -40.15 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.326 -0.859 . . . . 0.0 109.294 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.92 -40.84 90.22 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.237 -0.915 . . . . 0.0 109.646 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.69 96.87 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.587 -1.292 . . . . 0.0 109.954 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.03 -50.06 75.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.971 -1.311 . . . . 0.0 109.269 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . 0.535 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.48 -40.11 93.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.807 . . . . 0.0 109.415 178.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -59.98 -40.27 88.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.655 -178.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.19 -40.07 88.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.91 -1.119 . . . . 0.0 108.779 179.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.95 -39.55 85.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.33 -0.856 . . . . 0.0 108.893 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' C' ' 43' ' ' THR . 44.9 p -59.97 -41.65 92.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.761 -1.212 . . . . 0.0 108.864 -179.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.58 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 47.2 mtt-85 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.59 -1.319 . . . . 0.0 108.474 178.193 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.66 -41.16 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 -179.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' C' ' 40' ' ' THR . 61.1 p -59.9 -40.07 87.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.876 -1.14 . . . . 0.0 109.218 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.66 85.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.84 -39.99 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 0.0 109.782 179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.05 -40.04 88.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.169 -0.957 . . . . 0.0 108.604 -179.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.34 -45.35 94.78 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.415 -0.803 . . . . 0.0 109.595 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . 0.427 HD21 HE22 ' B' ' 52' ' ' GLN . 83.7 mt -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.911 -1.118 . . . . 0.0 108.844 -179.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.59 -40.05 95.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.809 -1.182 . . . . 0.0 108.803 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.03 -41.1 91.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.557 -0.714 . . . . 0.0 109.82 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.432 HE22 HD21 ' A' ' 49' ' ' LEU . 25.5 mt-30 -60.9 -40.05 91.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -0.972 . . . . 0.0 109.746 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.51 75.31 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.875 -1.141 . . . . 0.0 107.968 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.107 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 8.8 t-20 . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 121.846 0.831 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.35 122.51 35.83 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 76' ' ' SER . . . . . 0.411 ' OG ' ' OH ' ' B' ' 48' ' ' TYR . 1.4 m -86.15 101.1 12.69 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.552 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.69 133.53 34.38 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.48 0.657 . . . . 0.0 109.5 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' C' ' 78' ' ' THR . 12.2 t -96.47 112.26 59.48 Favored Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.97 -48.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.421 1.414 . . . . 0.0 114.217 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.35 -44.77 2.24 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.1 p90 -60.01 -52.96 63.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.153 -1.592 . . . . 0.0 112.333 -175.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 14.8 t-20 -79.05 -37.84 37.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 119.973 -1.705 . . . . 0.0 109.745 -179.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' C' ' 78' ' ' THR . 17.4 m120 -59.91 -48.44 81.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.791 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.93 -41.0 97.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.106 -0.996 . . . . 0.0 109.331 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -67.6 -40.01 84.77 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -63.79 -40.01 95.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.988 -1.07 . . . . 0.0 109.316 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.09 -40.8 90.85 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.921 -1.112 . . . . 0.0 109.002 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.24 -40.79 91.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 178.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.448 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.6 t90 -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.586 -0.696 . . . . 0.0 109.287 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.37 -42.47 98.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' C' ' 91' ' ' ARG . 42.2 mtt-85 -61.46 -40.55 94.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.908 . . . . 0.0 110.687 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -42.68 98.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.582 -1.324 . . . . 0.0 109.614 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -40.66 86.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.068 -1.02 . . . . 0.0 108.61 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.53 -43.23 97.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.4 -0.812 . . . . 0.0 110.635 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.5 -40.05 81.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.766 -1.209 . . . . 0.0 109.741 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.03 -40.22 82.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.13 -0.981 . . . . 0.0 108.868 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.09 -48.31 82.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 109.205 179.267 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.23 -39.99 96.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.412 -0.805 . . . . 0.0 109.371 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -68.62 -40.23 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 109.24 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -61.72 -41.07 97.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.053 -1.029 . . . . 0.0 109.616 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.94 75.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.186 -0.946 . . . . 0.0 109.503 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.193 -0.942 . . . . 0.0 109.495 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.08 -47.38 86.14 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.079 -1.013 . . . . 0.0 108.631 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -49.89 75.9 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 108.998 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -42.53 95.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 109.38 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.84 95.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 110.152 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.74 -44.12 97.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 109.46 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.98 -50.0 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.19 -0.944 . . . . 0.0 109.345 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.06 94.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.0 110.031 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -60.04 -49.71 76.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.226 -0.921 . . . . 0.0 109.611 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.13 -39.99 95.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.537 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.55 -39.99 95.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 109.769 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.33 -42.51 99.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.995 -1.066 . . . . 0.0 110.056 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.098 -1.002 . . . . 0.0 108.304 179.115 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -62.86 -40.41 97.39 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.659 -0.651 . . . . 0.0 109.558 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.7 t -60.48 -42.54 96.49 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.158 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.1 tp -62.86 -42.52 99.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.337 -0.852 . . . . 0.0 109.141 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.05 -39.61 90.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.392 -0.818 . . . . 0.0 109.658 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.43 88.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 0.0 108.642 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.32 -46.29 64.81 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -48.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.466 -1.02 . . . . 0.0 109.478 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.05 -45.86 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.93 -39.94 91.35 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.022 -1.049 . . . . 0.0 109.553 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.78 -41.13 90.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -0.963 . . . . 0.0 109.604 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.914 -1.116 . . . . 0.0 109.436 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.03 -42.92 99.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.136 -0.977 . . . . 0.0 108.775 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.74 -42.03 98.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.302 -0.874 . . . . 0.0 109.256 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.93 -40.83 95.66 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.118 -0.988 . . . . 0.0 109.125 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -43.78 94.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -47.94 83.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.278 -0.889 . . . . 0.0 109.875 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.5 -41.1 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.175 -0.953 . . . . 0.0 109.559 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -45.49 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.248 -0.908 . . . . 0.0 109.018 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.66 -42.21 96.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.673 -0.642 . . . . 0.0 109.669 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' CZ ' ' OD1' ' B' ' 99' ' ' ASN . 48.9 mtt-85 -60.55 -39.95 89.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.632 -0.668 . . . . 0.0 109.774 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -59.79 -39.82 86.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 108.72 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.09 -48.18 82.79 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 108.822 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.66 -41.18 98.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.01 -40.15 94.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 108.989 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 31' ' ' THR . 19.3 mt -60.31 -40.21 89.76 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.58 -0.7 . . . . 0.0 109.36 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.52 -40.21 90.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.2 mt -62.19 -41.2 98.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.159 -0.963 . . . . 0.0 109.33 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 62.6 p -64.35 -40.06 95.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.275 -0.891 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.2 -40.5 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.0 108.948 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.05 -41.44 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.173 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -47.53 90.53 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -60.07 -49.38 77.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.265 . . . . 0.0 109.498 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -60.94 -40.05 91.81 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.352 -0.843 . . . . 0.0 109.763 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.676 HD22 ' NH2' ' A' ' 41' ' ' ARG . 60.4 t-20 -60.01 -40.36 88.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.635 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.09 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.96 -40.23 88.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 109.575 -179.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.2 p -59.98 -40.45 89.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.739 -1.225 . . . . 0.0 108.798 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.676 ' NH2' HD22 ' A' ' 37' ' ' ASN . 29.7 mtt-85 -63.98 -40.0 95.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 108.485 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.09 -41.65 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.083 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' THR . 73.6 p -61.14 -40.03 92.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.991 -1.068 . . . . 0.0 110.017 179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.31 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.085 -1.634 . . . . 0.0 108.999 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 45' ' ' ILE . 87.8 mt -64.02 -39.87 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.597 -0.689 . . . . 0.0 109.86 179.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -39.72 87.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 0.0 108.896 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.34 -41.29 93.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.113 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 46.6 m-85 -67.17 -38.79 86.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.861 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.92 -40.0 87.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.824 -1.172 . . . . 0.0 108.701 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -60.2 -39.77 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.692 -1.255 . . . . 0.0 108.354 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 57.9 t0 -60.08 -39.89 87.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.297 -0.877 . . . . 0.0 108.786 178.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.616 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.94 -39.84 86.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.28 -0.888 . . . . 0.0 108.864 -179.45 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.616 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -59.8 -36.43 76.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.999 -1.063 . . . . 0.0 108.672 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.262 -0.899 . . . . 0.0 109.562 -179.618 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 43.0 t30 . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.76 125.49 34.46 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 t -80.09 112.37 17.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.931 -1.106 . . . . 0.0 108.306 -178.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.82 135.79 37.16 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.794 0.807 . . . . 0.0 109.955 -178.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 t -90.84 113.87 59.45 Favored Pre-proline 0 C--N 1.299 -1.606 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -91.88 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.511 1.474 . . . . 0.0 114.353 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -121.8 -43.78 2.35 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.106 -0.996 . . . . 0.0 113.336 -177.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.88 -48.08 83.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.684 -1.26 . . . . 0.0 112.78 -175.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.8 t30 -72.59 -46.82 52.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.091 -1.63 . . . . 0.0 110.177 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.0 -50.16 74.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 110.344 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.73 -45.63 93.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.917 -1.114 . . . . 0.0 109.362 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.4 p -68.43 -40.02 81.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.087 -1.008 . . . . 0.0 109.767 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.5 -40.11 92.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.974 -1.079 . . . . 0.0 109.265 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.1 -41.41 92.48 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.546 -1.346 . . . . 0.0 108.505 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.17 -43.18 96.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.467 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.3 t90 -60.29 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.59 -41.6 98.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -63.43 -40.67 97.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.078 -1.014 . . . . 0.0 110.379 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.34 -42.78 96.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.667 -1.27 . . . . 0.0 108.618 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.43 -40.91 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.388 -0.82 . . . . 0.0 109.133 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.91 -48.16 82.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.043 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -60.29 -45.36 93.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.924 -1.11 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.251 -0.906 . . . . 0.0 108.853 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.12 -47.63 85.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.303 -0.873 . . . . 0.0 109.423 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.62 -44.86 95.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.749 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.465 ' OD1' ' CZ ' ' C' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -40.97 96.75 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.591 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.17 -40.91 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.977 -1.077 . . . . 0.0 109.418 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.427 ' HG1' ' N ' ' A' ' 102' ' ' ALA . 40.8 p -62.4 -40.71 97.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.091 -1.006 . . . . 0.0 109.141 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.427 ' N ' ' HG1' ' A' ' 101' ' ' THR . . . -61.54 -48.02 82.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.455 179.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.05 -42.61 99.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.231 -0.918 . . . . 0.0 109.41 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.13 -46.1 91.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.867 . . . . 0.0 109.064 179.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.45 -49.44 77.57 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 109.199 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.58 -41.36 94.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.4 96.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.952 -1.093 . . . . 0.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.23 -47.45 85.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.18 -0.95 . . . . 0.0 109.243 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 109' ' ' ILE . 96.6 mt -59.96 -49.7 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.237 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -65.59 -40.1 92.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.378 -0.826 . . . . 0.0 109.357 -179.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.07 -48.23 82.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.372 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.99 -41.34 96.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.415 -0.803 . . . . 0.0 109.262 179.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.59 -40.74 97.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.021 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.32 -42.71 87.84 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 109.48 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 C--N 1.298 -1.645 0 O-C-N 121.051 -1.031 . . . . 0.0 108.981 179.412 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.773 0.797 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -63.23 -40.22 96.83 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.5 -0.75 . . . . 0.0 109.352 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.3 t -60.35 -42.46 95.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.9 tp -62.73 -42.79 99.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.481 -0.762 . . . . 0.0 109.014 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.06 -39.84 91.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.629 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.14 86.07 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.878 -1.139 . . . . 0.0 108.708 -179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -46.58 61.22 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 10' ' ' ILE . 96.9 mt -60.02 -49.14 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.466 -1.02 . . . . 0.0 109.479 179.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.36 -45.43 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.957 -1.089 . . . . 0.0 109.585 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.57 -39.81 89.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.26 -41.1 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.246 -0.909 . . . . 0.0 109.498 -178.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -62.08 -40.74 96.85 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.932 -1.105 . . . . 0.0 109.576 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -61.02 -42.82 99.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 108.714 179.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -62.11 -42.39 99.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.395 -0.816 . . . . 0.0 109.137 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.41 -40.84 96.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.991 -1.068 . . . . 0.0 109.157 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.34 -43.51 96.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.812 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.33 -47.93 83.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.0 t -60.29 -41.29 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.947 . . . . 0.0 109.395 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.15 -45.93 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.33 -0.856 . . . . 0.0 109.172 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.24 -42.56 95.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.641 -0.662 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.45 ' CZ ' ' OD1' ' C' ' 99' ' ' ASN . 49.3 mtt-85 -60.45 -39.46 87.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.512 -0.743 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -40.05 87.81 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.81 -48.2 82.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.092 -1.005 . . . . 0.0 108.856 179.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.5 -41.13 98.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.162 -0.961 . . . . 0.0 109.69 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 tp -62.28 -39.96 94.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.053 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.402 ' O ' ' OG1' ' B' ' 31' ' ' THR . 19.5 mt -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.36 90.56 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.202 -0.936 . . . . 0.0 109.2 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.463 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -62.19 -41.12 98.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.959 -1.088 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 64.7 p -64.45 -40.02 94.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.431 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.98 -40.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.0 109.007 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.2 -40.97 91.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.174 -0.954 . . . . 0.0 109.933 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.38 91.24 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.427 -1.368 . . . . 0.0 109.711 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.07 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.876 -1.367 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.3 -39.78 88.14 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.334 -0.854 . . . . 0.0 109.607 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.661 HD22 ' NH2' ' B' ' 41' ' ' ARG . 62.0 t-20 -60.31 -39.99 88.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.087 -1.008 . . . . 0.0 109.791 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.08 -39.94 87.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.874 -1.141 . . . . 0.0 109.071 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.07 -40.35 89.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.529 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.5 p -60.06 -40.28 88.93 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.744 -1.223 . . . . 0.0 108.814 -179.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.661 ' NH2' HD22 ' B' ' 37' ' ' ASN . 29.4 mtt-85 -63.96 -40.16 95.79 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.89 -42.16 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.455 -0.778 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 74.2 p -60.48 -40.22 90.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.972 . . . . 0.0 109.976 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.62 82.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.241 -1.537 . . . . 0.0 109.122 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.98 -39.9 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.52 -0.738 . . . . 0.0 109.895 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -39.56 87.57 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.234 -0.916 . . . . 0.0 108.73 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.087 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -66.44 -39.17 88.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.98 -39.88 87.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.845 -1.159 . . . . 0.0 108.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.94 -39.87 87.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.617 -1.302 . . . . 0.0 108.136 178.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 51' ' ' ASP . 56.4 t0 -60.15 -39.84 87.77 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.76 -39.76 85.89 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.381 -0.824 . . . . 0.0 108.984 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.618 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.94 -36.74 77.7 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.935 -1.103 . . . . 0.0 108.759 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.356 -0.84 . . . . 0.0 109.437 -179.654 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 43.8 t30 . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.59 125.32 34.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -79.97 112.37 17.21 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.322 -178.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.3 mt -78.73 135.81 37.24 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.551 0.691 . . . . 0.0 109.82 -178.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -90.98 113.72 59.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.29 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -91.82 -48.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.566 1.511 . . . . 0.0 114.38 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.06 -43.69 2.32 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.208 -0.932 . . . . 0.0 113.499 -176.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.643 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.89 -47.94 83.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.57 -1.331 . . . . 0.0 112.678 -176.003 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.643 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 62.2 t30 -72.85 -46.92 50.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.124 -1.61 . . . . 0.0 110.126 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.87 -50.08 75.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 110.395 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.08 -44.9 96.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.916 -1.115 . . . . 0.0 109.46 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 53.9 p -68.91 -39.95 79.37 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.328 -0.858 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -65.77 -39.98 91.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.874 -1.141 . . . . 0.0 109.254 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -60.03 -41.35 92.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.689 -1.257 . . . . 0.0 108.442 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.34 -42.83 96.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.9 t90 -60.47 -49.21 78.47 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 179.038 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.67 -41.08 98.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.906 . . . . 0.0 109.937 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -63.66 -40.24 96.36 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.171 -0.956 . . . . 0.0 110.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.76 -42.57 97.69 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.514 -1.275 . . . . 0.0 108.786 179.215 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.58 -41.16 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.27 -0.894 . . . . 0.0 108.92 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.8 t0 -60.01 -47.61 85.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.503 -0.748 . . . . 0.0 110.028 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.71 -45.25 94.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.776 -1.202 . . . . 0.0 109.613 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.46 -42.79 95.74 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.069 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.6 -48.15 83.07 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.301 -0.874 . . . . 0.0 109.238 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.23 -44.38 95.24 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.376 -0.827 . . . . 0.0 109.623 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.453 HD21 ' C ' ' B' ' 99' ' ' ASN . 0.3 OUTLIER -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.303 -0.873 . . . . 0.0 109.47 -179.489 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 100' ' ' ILE . 83.1 mt -65.18 -41.24 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 101' ' ' THR . . . . . 0.424 ' HG1' ' N ' ' B' ' 102' ' ' ALA . 41.0 p -62.24 -40.86 97.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.928 -1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.424 ' N ' ' HG1' ' B' ' 101' ' ' THR . . . -61.52 -47.91 83.43 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.4 -0.813 . . . . 0.0 109.527 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.79 -43.19 99.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.214 -0.929 . . . . 0.0 109.099 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.47 -46.53 89.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.96 -49.65 76.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 0.0 109.399 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.79 -40.97 94.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.71 98.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.005 -1.06 . . . . 0.0 109.358 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.18 -47.47 85.82 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.091 -1.006 . . . . 0.0 109.116 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.423 HG22 HD11 ' B' ' 109' ' ' ILE . 96.6 mt -60.1 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.074 -1.016 . . . . 0.0 109.286 179.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -65.24 -39.96 93.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.57 -0.706 . . . . 0.0 109.842 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -59.89 -48.41 81.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.403 -0.81 . . . . 0.0 108.965 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.02 -40.97 95.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.119 -0.988 . . . . 0.0 109.492 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.44 -40.81 97.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.32 -42.96 87.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.0 109.809 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 16.0 ttt . . . . . 0 C--N 1.302 -1.488 0 O-C-N 121.276 -0.89 . . . . 0.0 108.797 179.114 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.06 -40.13 96.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.552 -0.717 . . . . 0.0 109.229 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.48 -43.07 97.36 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.105 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' C' ' 5' ' ' THR . 58.9 tp -62.4 -42.86 99.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.299 -0.876 . . . . 0.0 109.105 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.74 -39.96 90.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.72 -46.25 61.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.626 -1.79 . . . . 0.0 108.626 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -49.14 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.583 -0.951 . . . . 0.0 109.555 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.09 -45.62 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.134 -0.979 . . . . 0.0 109.286 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.6 -39.65 88.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.086 . . . . 0.0 109.717 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.13 -41.55 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.395 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.75 -40.89 96.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.927 -1.108 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -61.37 -42.5 98.81 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.035 -1.041 . . . . 0.0 108.7 179.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.13 -41.73 98.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.289 -0.882 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.93 -41.19 95.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.344 -0.847 . . . . 0.0 109.093 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.1 -43.48 95.53 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.24 -48.21 82.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.306 -0.871 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.08 -41.09 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 109.487 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.92 -46.15 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 108.96 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.11 -42.51 94.89 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.526 0.679 . . . . 0.0 109.762 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.465 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 50.5 mtt-85 -60.82 -39.67 89.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.685 -0.635 . . . . 0.0 109.732 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -39.77 86.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.116 -0.99 . . . . 0.0 108.67 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.16 -48.09 83.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 108.835 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.61 -41.19 98.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.747 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.16 -40.23 95.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 108.685 179.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.22 -40.06 88.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.448 -0.782 . . . . 0.0 109.318 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.22 -40.29 89.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.307 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.3 mt -62.31 -41.81 98.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.129 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -63.82 -39.88 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.084 -1.01 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.26 -40.31 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 108.928 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.1 -41.5 92.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 0.0 110.245 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.66 -47.24 91.9 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.38 -49.95 75.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.893 -1.357 . . . . 0.0 109.462 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.429 -0.795 . . . . 0.0 109.585 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.653 HD22 ' NH2' ' C' ' 41' ' ' ARG . 60.0 t-20 -60.19 -40.46 90.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 109.79 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.18 -39.96 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.022 -1.049 . . . . 0.0 109.013 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.93 -40.05 87.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.979 -1.076 . . . . 0.0 109.63 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' C' ' 43' ' ' THR . 58.1 p -60.1 -40.27 89.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.717 -1.239 . . . . 0.0 108.722 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.653 ' NH2' HD22 ' C' ' 37' ' ' ASN . 28.6 mtt-85 -64.08 -39.99 95.27 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.18 -41.47 86.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.333 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' C' ' 40' ' ' THR . 72.0 p -61.31 -40.05 92.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.917 -1.114 . . . . 0.0 110.057 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.65 81.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.339 -1.476 . . . . 0.0 108.891 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.42 HD11 HG22 ' C' ' 45' ' ' ILE . 85.6 mt -63.65 -40.1 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 109.86 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -39.8 87.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.097 -1.002 . . . . 0.0 108.841 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.05 -41.65 92.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.344 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 47.2 m-85 -66.98 -38.95 87.0 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.367 -0.833 . . . . 0.0 109.695 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.12 -39.9 87.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.89 -1.131 . . . . 0.0 108.497 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.89 -40.01 87.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.563 -1.335 . . . . 0.0 108.378 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -60.12 -39.77 87.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.296 -0.878 . . . . 0.0 108.722 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.53 -40.01 85.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.125 -0.984 . . . . 0.0 109.059 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.96 -36.45 77.14 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.955 -1.091 . . . . 0.0 108.758 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.065 -1.022 . . . . 0.0 109.338 -179.8 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 42.9 t30 . . . . . 0 N--CA 1.5 2.065 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 125.4 34.46 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.5 t -80.02 112.41 17.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.323 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.8 135.95 37.22 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.725 0.774 . . . . 0.0 109.821 -178.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 7.4 t -91.09 113.65 58.95 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.59 -48.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.81 1.674 . . . . 0.0 114.43 -179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -121.77 -43.71 2.35 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -59.91 -48.04 83.3 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.432 -1.418 . . . . 0.0 112.752 -175.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.7 t30 -72.4 -46.8 53.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.082 -1.636 . . . . 0.0 110.161 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -60.18 -49.99 75.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.897 -1.127 . . . . 0.0 110.469 -178.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.18 -44.88 96.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.957 -1.089 . . . . 0.0 109.433 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 45.5 p -68.83 -40.04 79.65 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.12 -0.987 . . . . 0.0 109.792 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -65.38 -39.98 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.976 -1.078 . . . . 0.0 109.41 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.15 -42.14 94.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.814 -1.179 . . . . 0.0 108.297 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -42.91 95.6 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.463 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.2 t90 -60.06 -49.43 77.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.081 178.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.97 -42.78 99.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.709 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -62.11 -40.89 97.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 110.401 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.57 -42.71 97.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.614 -1.304 . . . . 0.0 108.948 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.6 -40.79 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.3 -0.875 . . . . 0.0 108.857 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.1 -48.12 83.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.865 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -60.3 -45.46 93.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.927 -1.108 . . . . 0.0 109.597 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.3 -42.82 96.18 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.942 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.1 -44.06 95.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.454 -0.779 . . . . 0.0 109.701 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.45 ' OD1' ' CZ ' ' B' ' 23' ' ' ARG . 0.4 OUTLIER -64.92 -40.97 95.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 109.481 -179.644 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 100' ' ' ILE . 83.7 mt -65.07 -40.74 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.47 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 101' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' C' ' 102' ' ' ALA . 40.8 p -62.81 -40.67 98.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.993 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . 0.413 ' N ' ' HG1' ' C' ' 101' ' ' THR . . . -61.42 -48.69 80.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.296 -0.878 . . . . 0.0 109.446 179.371 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -43.56 98.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.14 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -46.57 89.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.117 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.1 -49.77 76.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.806 . . . . 0.0 109.315 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.23 -41.38 92.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.419 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.7 97.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.863 . . . . 0.0 109.622 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.09 -47.61 85.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.353 -0.842 . . . . 0.0 109.243 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.408 HG22 HD11 ' C' ' 109' ' ' ILE . 96.4 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.198 -0.939 . . . . 0.0 109.21 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -65.05 -40.15 94.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.39 -0.819 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -60.06 -48.72 80.56 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.32 -0.863 . . . . 0.0 109.123 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.42 -41.16 93.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.066 -1.021 . . . . 0.0 109.506 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.38 -40.84 97.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.979 -1.075 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -66.57 -42.64 86.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.808 -1.182 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.269 -0.895 . . . . 0.0 108.831 179.466 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -65.06 -40.0 94.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.569 -0.707 . . . . 0.0 109.662 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -60.5 -42.49 96.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.188 -0.945 . . . . 0.0 109.287 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.45 -40.68 96.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.991 -1.068 . . . . 0.0 108.917 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.79 -40.02 93.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.331 -0.856 . . . . 0.0 109.733 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.92 93.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.872 -1.143 . . . . 0.0 109.087 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.26 81.12 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -48.92 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -1.073 . . . . 0.0 109.475 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.95 -43.54 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.111 -0.993 . . . . 0.0 108.998 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -60.15 -39.96 88.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.9 tp-100 -60.29 -41.51 93.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 109.813 -179.339 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.36 -41.84 94.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.008 -1.057 . . . . 0.0 109.472 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.36 -42.61 96.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.344 -0.848 . . . . 0.0 109.141 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.6 mt-30 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.707 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.01 -41.48 99.57 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.407 -0.808 . . . . 0.0 109.25 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.42 -40.86 95.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.268 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -48.58 81.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.98 -41.25 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.969 . . . . 0.0 109.644 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.19 -44.91 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.4 -41.69 94.4 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.517 -0.74 . . . . 0.0 109.014 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.575 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 42.7 mtt-85 -61.57 -40.4 94.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.318 -0.864 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.995 -1.066 . . . . 0.0 109.417 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.07 -48.98 79.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 0.0 109.491 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.89 -40.59 96.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.154 -0.966 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.25 -40.7 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.209 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' A' ' 31' ' ' THR . 18.1 mt -60.11 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.414 -0.804 . . . . 0.0 109.195 179.265 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -40.22 88.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.87 -1.144 . . . . 0.0 109.516 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.0 mt -60.9 -42.84 98.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.254 179.48 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 82.0 p -61.86 -40.08 94.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.14 -0.975 . . . . 0.0 109.48 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.23 -40.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.777 . . . . 0.0 109.08 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.05 -43.25 95.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.577 -0.702 . . . . 0.0 110.084 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -47.44 91.01 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.363 -1.399 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.97 -49.83 76.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.756 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.63 -39.93 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 109.302 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.596 HD22 ' NH2' ' A' ' 41' ' ' ARG . 44.6 t-20 -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.126 -0.984 . . . . 0.0 109.739 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.28 -39.94 88.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.057 -1.027 . . . . 0.0 109.291 178.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -59.78 -40.01 86.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.203 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 62.6 p -60.22 -40.21 89.34 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.008 -1.057 . . . . 0.0 108.259 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.599 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 28.7 mtt-85 -64.51 -40.16 95.12 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.93 -41.31 88.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.549 -0.719 . . . . 0.0 109.361 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 40' ' ' THR . 49.1 p -59.65 -40.28 87.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.888 -1.132 . . . . 0.0 109.317 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.8 96.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.149 -0.969 . . . . 0.0 108.975 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.22 -39.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.732 -0.605 . . . . 0.0 109.634 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.87 -40.27 88.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.259 -0.901 . . . . 0.0 109.185 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.92 -41.78 96.83 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.385 -0.822 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 60.1 m-85 -69.52 -38.32 77.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.146 -0.971 . . . . 0.0 110.063 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.836 -1.165 . . . . 0.0 108.148 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.03 -40.65 90.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.771 -1.206 . . . . 0.0 108.169 178.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 60.2 t0 -60.17 -39.61 87.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.504 -0.747 . . . . 0.0 109.112 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.62 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.11 -40.08 84.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 108.636 -179.407 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.62 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.92 . . . . 0.0 109.21 179.246 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 109.009 -179.081 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 53.4 t30 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 121.513 0.673 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.49 125.14 34.13 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -80.85 109.47 15.45 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.219 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.49 136.43 36.31 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 t -87.44 115.93 64.45 Favored Pre-proline 0 N--CA 1.49 1.546 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 21.9 Cg_endo -93.22 -47.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.478 1.452 . . . . 0.0 114.287 -179.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -121.79 -44.63 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.32 -0.862 . . . . 0.0 113.304 -177.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -59.84 -49.59 77.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.524 -1.36 . . . . 0.0 112.672 -175.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.5 t30 -71.64 -40.5 69.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.043 -1.661 . . . . 0.0 110.236 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 79' ' ' PRO . 91.7 m-20 -59.96 -50.24 74.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.033 -1.042 . . . . 0.0 110.715 -178.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.97 -1.081 . . . . 0.0 109.519 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.5 p -69.4 -39.97 77.64 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.185 -0.947 . . . . 0.0 109.629 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -67.09 -40.05 86.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.072 -1.017 . . . . 0.0 108.955 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -41.73 93.3 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.876 -1.14 . . . . 0.0 108.565 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.125 -0.984 . . . . 0.0 108.756 178.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -60.21 -49.0 79.36 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.17 -42.13 99.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.9 mtt-85 -61.82 -41.58 97.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.336 -179.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.16 -44.28 95.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.71 -40.45 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.419 -0.8 . . . . 0.0 109.47 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.44 -43.81 96.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.55 -0.719 . . . . 0.0 110.564 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -67.5 -40.39 85.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.439 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -41.47 97.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -44.84 89.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.867 -1.146 . . . . 0.0 109.194 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -48.81 80.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.236 -0.915 . . . . 0.0 109.307 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.58 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 34.5 t-20 -60.31 -46.64 89.16 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.397 -0.814 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.08 -43.97 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 p -60.92 -42.3 97.84 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 0.0 109.726 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.51 85.86 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.564 179.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.78 -42.47 99.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.192 -0.943 . . . . 0.0 109.267 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.35 -48.8 80.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.271 -0.893 . . . . 0.0 108.982 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.08 -46.11 90.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 0.0 109.409 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -64.36 -40.18 95.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.341 -0.849 . . . . 0.0 109.094 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.58 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -49.52 77.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.167 -0.958 . . . . 0.0 109.088 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.2 -50.05 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.302 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.58 -42.28 98.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.387 -0.821 . . . . 0.0 109.376 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.16 -49.05 79.15 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.73 -41.34 97.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -0.828 . . . . 0.0 109.4 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.68 -41.69 99.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.0 109.157 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.54 -45.03 92.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.15 -0.969 . . . . 0.0 109.19 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.304 -0.872 . . . . 0.0 108.675 179.267 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -64.51 -39.85 94.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.38 -0.825 . . . . 0.0 109.507 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.1 t -60.42 -43.01 97.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 0.0 109.283 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' B' ' 5' ' ' THR . 61.4 tp -63.82 -40.95 97.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.973 . . . . 0.0 108.845 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.55 -39.58 91.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.28 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.913 -1.117 . . . . 0.0 109.059 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.63 -46.41 84.36 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -48.85 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.502 -0.999 . . . . 0.0 109.509 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.81 -43.28 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 108.964 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.5 -40.5 91.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.265 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -41.62 92.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.747 -179.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.24 -42.19 94.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.84 -1.163 . . . . 0.0 109.499 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.01 -43.45 95.23 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.02 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.699 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.35 -41.95 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.34 -0.85 . . . . 0.0 109.328 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.46 -40.63 95.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.908 . . . . 0.0 109.4 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.03 -48.28 82.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.113 -0.992 . . . . 0.0 109.84 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.19 -41.08 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.941 -1.1 . . . . 0.0 109.593 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -45.2 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.922 . . . . 0.0 109.287 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.04 -41.63 92.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.586 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 42.4 mtt-85 -62.15 -40.21 95.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.53 -0.731 . . . . 0.0 109.591 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.12 -39.78 87.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.078 -1.014 . . . . 0.0 109.413 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -60.24 -48.85 79.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 109.52 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.13 -40.72 96.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.985 -1.072 . . . . 0.0 109.471 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -60.93 -40.37 92.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.293 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' B' ' 31' ' ' THR . 18.0 mt -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.819 . . . . 0.0 109.327 179.154 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.48 90.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.934 -1.103 . . . . 0.0 109.302 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.412 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -60.82 -42.37 97.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.084 -1.01 . . . . 0.0 109.193 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 81.5 p -62.57 -40.09 95.76 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.869 . . . . 0.0 109.511 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.17 -40.09 82.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.477 -0.764 . . . . 0.0 108.955 179.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.28 -42.83 96.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 110.138 -179.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.8 89.22 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.12 -49.86 75.98 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.948 -1.325 . . . . 0.0 109.912 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.24 -39.96 96.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.085 -1.01 . . . . 0.0 109.455 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.606 HD22 ' NH2' ' B' ' 41' ' ' ARG . 45.1 t-20 -59.89 -40.21 87.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 109.524 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.23 -39.75 87.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 109.347 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.13 -39.97 88.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.212 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.439 ' O ' ' OG1' ' B' ' 43' ' ' THR . 56.6 p -60.77 -40.07 91.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.431 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.606 ' NH2' HD22 ' B' ' 37' ' ' ASN . 28.3 mtt-85 -64.41 -40.08 95.09 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.36 -41.62 87.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.527 -0.733 . . . . 0.0 109.116 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 40' ' ' THR . 63.4 p -59.82 -40.04 87.11 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.481 -179.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.19 94.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 178.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -59.94 -39.82 81.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.748 -0.595 . . . . 0.0 109.759 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.01 -40.09 88.07 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -178.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.17 -41.86 97.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.448 -0.783 . . . . 0.0 109.665 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.31 -38.25 78.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 110.231 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.09 -40.07 88.35 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.93 -1.106 . . . . 0.0 108.282 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.1 -40.55 90.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.566 -1.334 . . . . 0.0 107.89 178.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.06 -39.77 87.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.466 -0.771 . . . . 0.0 108.988 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.07 -39.95 83.71 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.098 -1.001 . . . . 0.0 109.003 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.636 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.35 -35.16 75.03 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.284 -179.114 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 51.0 t30 . . . . . 0 N--CA 1.502 2.161 0 CA-C-O 121.43 0.633 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.15 34.08 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.8 t -81.09 109.88 16.07 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 118.808 -1.157 . . . . 0.0 108.208 -179.034 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 mt -80.94 136.41 36.03 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.434 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -87.55 116.22 65.44 Favored Pre-proline 0 C--N 1.301 -1.52 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.438 ' O ' ' ND2' ' B' ' 83' ' ' ASN . 18.6 Cg_endo -93.58 -47.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.573 1.516 . . . . 0.0 114.25 -179.703 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -122.04 -44.3 2.3 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.4 p90 -60.23 -49.81 76.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.578 -1.327 . . . . 0.0 112.468 -175.841 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.9 t30 -71.75 -40.31 69.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.078 -1.639 . . . . 0.0 110.17 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 79' ' ' PRO . 91.6 m-20 -60.0 -50.08 75.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.975 . . . . 0.0 110.609 -178.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.18 -46.63 89.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.908 -1.12 . . . . 0.0 109.453 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 48.2 p -69.48 -40.09 77.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.979 -1.075 . . . . 0.0 109.658 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -67.0 -39.87 87.2 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.089 -1.044 . . . . 0.0 109.115 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.17 -42.06 94.18 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.79 -1.194 . . . . 0.0 108.468 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.48 -40.25 90.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.09 -1.006 . . . . 0.0 108.804 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.41 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -59.95 -49.95 75.68 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.28 -42.3 99.23 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.332 -0.855 . . . . 0.0 110.034 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -61.81 -41.24 97.52 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.954 -1.092 . . . . 0.0 110.391 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -60.29 -44.12 95.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.96 -1.088 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.97 -40.4 87.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.285 -0.885 . . . . 0.0 109.11 179.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.26 -44.0 95.66 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.613 -0.679 . . . . 0.0 110.536 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -67.66 -39.91 84.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.801 -1.187 . . . . 0.0 109.622 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.66 -41.18 96.27 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.174 -0.954 . . . . 0.0 109.04 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.67 -44.43 90.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.127 . . . . 0.0 109.437 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.11 -49.19 78.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.367 -0.833 . . . . 0.0 109.258 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.575 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 34.5 t-20 -60.22 -46.55 89.36 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.462 -0.773 . . . . 0.0 109.373 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.21 -43.89 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.438 -0.789 . . . . 0.0 109.789 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 22.9 p -60.86 -42.46 97.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.901 -1.124 . . . . 0.0 109.658 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.44 90.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.731 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.6 -42.23 99.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.246 -0.909 . . . . 0.0 109.226 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.22 -49.2 78.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.271 -0.893 . . . . 0.0 109.162 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -45.62 92.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -64.52 -39.98 94.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.0 109.205 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.47 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.238 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.31 -50.0 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.213 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.05 -42.01 98.74 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.296 -0.877 . . . . 0.0 109.305 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.05 -49.39 77.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 108.603 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.21 -41.75 97.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -62.4 -42.01 99.11 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.012 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -62.73 -45.79 91.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.218 -0.926 . . . . 0.0 109.082 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 50.4 ttp . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.282 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.63 -40.28 95.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.359 -0.838 . . . . 0.0 109.456 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.25 -42.8 96.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' C' ' 5' ' ' THR . 62.6 tp -64.26 -40.42 95.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.925 -1.11 . . . . 0.0 108.861 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.03 -39.71 93.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 109.743 179.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.56 93.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.835 -1.166 . . . . 0.0 109.114 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.98 80.67 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 179.12 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -48.87 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.46 -1.023 . . . . 0.0 109.495 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.27 -43.57 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.793 -1.192 . . . . 0.0 108.918 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -60.26 -40.01 88.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.037 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -41.51 92.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.09 -42.14 94.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.912 -1.118 . . . . 0.0 109.598 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.01 -43.33 95.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.452 -0.78 . . . . 0.0 109.168 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.38 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.333 -0.854 . . . . 0.0 109.641 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.76 -41.61 99.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.836 . . . . 0.0 109.183 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.33 -40.78 95.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.246 -0.909 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.27 -48.51 81.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.909 . . . . 0.0 109.667 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.2 -40.78 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.117 -0.989 . . . . 0.0 109.593 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.36 -45.11 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.0 109.28 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.06 -41.28 92.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.58 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 43.5 mtt-85 -62.27 -39.91 94.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.555 -0.716 . . . . 0.0 109.622 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.206 -0.934 . . . . 0.0 109.3 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.68 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.522 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.34 -40.7 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.077 -1.015 . . . . 0.0 109.453 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.22 -40.22 93.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.421 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.2 -39.95 88.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.0 109.031 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.52 -40.19 90.57 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.995 -1.066 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.78 -42.42 97.51 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 179.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 80.9 p -62.5 -40.08 95.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.303 -0.873 . . . . 0.0 109.422 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.34 -39.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -60.01 -43.25 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.446 -0.784 . . . . 0.0 110.314 -179.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.74 89.53 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.858 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -60.05 -49.93 75.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.973 -1.31 . . . . 0.0 109.856 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.09 -40.04 96.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.289 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.589 HD22 ' NH2' ' C' ' 41' ' ' ARG . 45.5 t-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.106 -0.996 . . . . 0.0 109.627 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.51 -39.7 88.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 179.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -59.58 -40.51 87.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.058 -1.026 . . . . 0.0 109.144 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' C' ' 43' ' ' THR . 64.3 p -60.02 -40.4 89.16 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.584 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.589 ' NH2' HD22 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -64.46 -40.11 95.09 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.8 -40.91 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' C' ' 40' ' ' THR . 51.4 p -60.22 -40.0 88.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.921 -1.112 . . . . 0.0 109.221 -179.359 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.3 94.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 108.893 179.05 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.24 -39.64 81.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.639 -0.663 . . . . 0.0 109.703 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -40.37 88.86 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.132 -0.98 . . . . 0.0 108.956 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.6 -41.75 95.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 60.0 m-85 -69.74 -38.11 76.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.174 -0.954 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.83 -40.05 87.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.969 -1.082 . . . . 0.0 108.253 179.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -60.1 -40.19 88.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.684 -1.26 . . . . 0.0 108.155 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.28 -39.66 87.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 109.007 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.627 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.18 -39.91 84.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 108.871 -179.6 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.627 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.43 -35.57 76.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 109.199 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 C--N 1.302 -1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 109.049 -178.835 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 51.4 t30 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 121.562 0.696 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.19 34.11 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -80.92 109.74 15.78 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.161 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.86 136.28 36.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.495 0.664 . . . . 0.0 109.429 -178.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -87.18 116.09 64.92 Favored Pre-proline 0 N--CA 1.49 1.545 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . 0.461 ' O ' ' ND2' ' C' ' 83' ' ' ASN . 20.7 Cg_endo -93.5 -47.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.595 1.53 . . . . 0.0 114.202 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -122.07 -44.73 2.28 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.1 p90 -59.85 -49.72 76.6 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.494 -1.379 . . . . 0.0 112.566 -175.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.7 t30 -71.73 -40.26 69.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 119.975 -1.703 . . . . 0.0 110.125 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' C' ' 79' ' ' PRO . 91.7 m-20 -60.32 -49.99 75.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 0.0 110.527 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.25 -46.48 89.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.732 -1.23 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 48.1 p -69.41 -39.93 77.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -67.03 -40.16 87.16 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.001 -1.062 . . . . 0.0 109.045 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -59.97 -42.03 93.23 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.916 -1.115 . . . . 0.0 108.428 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.53 -40.33 91.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.012 -1.055 . . . . 0.0 108.626 179.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.412 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.9 t90 -59.98 -49.79 76.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 108.959 179.309 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.91 -41.26 99.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.937 . . . . 0.0 109.95 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' C' ' 91' ' ' ARG . 50.7 mtt-85 -62.57 -41.54 99.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.018 . . . . 0.0 110.196 -179.761 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.791 -1.193 . . . . 0.0 109.222 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.93 -40.47 87.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.259 -0.901 . . . . 0.0 109.144 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.11 -44.22 95.02 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.337 -0.852 . . . . 0.0 110.666 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.18 -40.27 86.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.689 -1.257 . . . . 0.0 109.535 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.38 -41.13 96.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.235 -0.916 . . . . 0.0 109.528 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.85 -44.13 90.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.092 . . . . 0.0 109.293 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.38 -49.13 78.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.347 -0.846 . . . . 0.0 109.198 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 34.6 t-20 -60.07 -47.1 87.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.454 -0.779 . . . . 0.0 109.222 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.01 -44.05 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.812 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 23.2 p -60.83 -42.58 97.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.963 -1.086 . . . . 0.0 109.765 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.72 89.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.05 -42.69 99.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.232 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.98 -48.75 80.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -0.901 . . . . 0.0 109.082 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.93 -46.53 89.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.498 -0.751 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.03 -40.02 95.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.446 -0.784 . . . . 0.0 109.327 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.91 99.45 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 0.0 109.508 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.62 -49.22 78.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.125 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.26 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.296 -0.877 . . . . 0.0 109.255 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.98 -41.88 98.51 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.272 -0.893 . . . . 0.0 109.29 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -60.0 -49.3 78.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.86 . . . . 0.0 108.918 179.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.44 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -61.88 -42.62 99.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.35 -0.843 . . . . 0.0 109.061 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.54 -45.42 93.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 50.9 ttp . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.34 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.49 -40.03 94.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.364 -0.835 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.1 t -60.0 -41.59 92.4 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.018 -1.051 . . . . 0.0 109.102 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 5' ' ' THR . 61.3 tp -60.76 -43.36 98.1 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.064 -1.022 . . . . 0.0 108.445 179.359 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.49 -40.05 93.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -0.785 . . . . 0.0 109.718 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.067 -1.02 . . . . 0.0 108.692 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.54 61.26 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 10' ' ' ILE . 96.6 mt -60.02 -49.18 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.425 -1.044 . . . . 0.0 109.351 179.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.93 -46.12 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.139 -0.975 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.476 -0.765 . . . . 0.0 109.418 178.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -60.01 -42.53 94.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.457 -0.777 . . . . 0.0 109.241 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.14 -40.93 91.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.992 -1.068 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.288 -0.882 . . . . 0.0 109.442 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.2 mt-30 -65.34 -40.19 93.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.154 -0.966 . . . . 0.0 109.534 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.26 -40.09 93.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.0 108.996 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.97 -44.76 94.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.491 -0.756 . . . . 0.0 109.383 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.07 -46.7 88.68 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.225 -0.922 . . . . 0.0 110.248 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.416 -179.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -44.89 95.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.046 -1.034 . . . . 0.0 108.806 -179.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.01 -40.03 91.98 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.329 -0.857 . . . . 0.0 109.43 179.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.651 ' NE ' ' ND2' ' B' ' 99' ' ' ASN . 31.5 mmt180 -60.0 -40.22 88.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.68 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.35 -40.03 89.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 108.946 179.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.425 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 73.4 tp60 -59.97 -48.02 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 108.922 179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.6 -44.59 96.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.48 -40.04 89.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.32 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.03 -39.98 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.35 -0.844 . . . . 0.0 109.407 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 57.8 mtt-85 -60.06 -40.59 89.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.986 -1.071 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.3 mt -62.87 -40.6 98.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -65.24 -39.99 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.441 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.566 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 71.6 t -60.76 -40.8 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.435 -0.791 . . . . 0.0 109.366 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.01 -43.09 95.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.51 -46.77 92.71 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.08 -49.68 76.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.018 -1.284 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.1 mttp -61.81 -39.92 93.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.969 -1.082 . . . . 0.0 110.051 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.717 HD22 HH21 ' A' ' 41' ' ' ARG . 55.4 t-20 -60.04 -40.56 89.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.247 -0.908 . . . . 0.0 109.573 -179.493 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.54 -39.99 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.143 -0.973 . . . . 0.0 109.578 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.119 -0.988 . . . . 0.0 109.956 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.456 ' O ' ' OG1' ' A' ' 43' ' ' THR . 73.3 p -60.06 -41.19 91.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.975 -1.078 . . . . 0.0 108.563 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.717 HH21 HD22 ' A' ' 37' ' ' ASN . 29.9 mtt-85 -63.15 -40.03 96.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -40.92 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.817 . . . . 0.0 109.3 179.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 40' ' ' THR . 73.9 p -60.11 -39.98 88.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.124 -0.985 . . . . 0.0 109.342 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.34 82.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.944 -1.098 . . . . 0.0 109.272 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.12 -45.12 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.473 -0.767 . . . . 0.0 110.944 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.23 -39.33 89.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.296 . . . . 0.0 109.978 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.159 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.0 m-85 -69.45 -39.21 77.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.049 -1.032 . . . . 0.0 109.442 178.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.5 mt -60.05 -39.93 87.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.933 -1.104 . . . . 0.0 108.874 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.02 -39.98 87.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 108.752 179.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.753 -1.217 . . . . 0.0 108.722 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.57 ' NE2' HD22 ' B' ' 74' ' ' ASN . 45.5 mt-30 -63.99 -37.3 86.92 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.585 179.137 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -32.88 55.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.824 -1.172 . . . . 0.0 108.064 179.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.344 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 17.0 t-20 . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 121.557 0.694 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.06 124.67 34.98 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.6 p -81.11 107.54 14.0 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.8 135.69 37.15 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.663 0.744 . . . . 0.0 109.882 -178.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 t -91.01 113.89 59.67 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -90.81 -48.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.097 0 C-N-CA 121.687 1.591 . . . . 0.0 114.222 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.64 -43.68 2.37 Favored 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.98 -48.44 81.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.352 -1.467 . . . . 0.0 112.358 -175.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.7 t30 -72.17 -43.27 64.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.214 -1.554 . . . . 0.0 110.366 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.92 -50.07 75.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.974 . . . . 0.0 110.568 -178.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.59 -43.77 97.97 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.054 -1.029 . . . . 0.0 109.745 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.7 p -70.0 -39.94 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -67.8 -40.07 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.914 -1.116 . . . . 0.0 109.315 -179.241 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.461 ' C ' ' HE ' ' A' ' 91' ' ' ARG . 93.0 mt-30 -59.92 -41.26 91.36 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.615 -1.303 . . . . 0.0 108.399 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.483 ' N ' HH21 ' A' ' 91' ' ' ARG . 88.7 tt0 -62.32 -40.57 96.77 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.131 -0.98 . . . . 0.0 108.475 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.448 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 70.1 t90 -60.0 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.518 -0.739 . . . . 0.0 109.072 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.39 -40.59 96.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.198 -0.939 . . . . 0.0 109.54 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.483 HH21 ' N ' ' A' ' 88' ' ' GLU . 87.0 mtm180 -63.63 -41.04 98.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.082 -1.011 . . . . 0.0 110.267 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.59 -42.86 97.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 109.625 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.41 -41.67 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.898 -1.126 . . . . 0.0 109.401 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.91 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.414 -0.804 . . . . 0.0 110.134 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -62.12 -40.13 94.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.995 -1.066 . . . . 0.0 109.99 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.01 -40.82 78.46 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.117 -0.989 . . . . 0.0 109.359 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 54.0 tp10 -60.79 -45.73 93.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 108.836 179.059 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.99 -47.42 85.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 0.0 109.304 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.628 ' ND2' ' NE ' ' C' ' 23' ' ' ARG . 26.0 t30 -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.178 -0.951 . . . . 0.0 109.121 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -60.08 -43.3 95.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.316 -0.865 . . . . 0.0 108.983 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.62 80.96 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 108.969 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.95 -45.55 92.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.291 -0.881 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.14 -43.2 95.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.165 -0.959 . . . . 0.0 109.138 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.96 -49.91 75.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.173 -0.954 . . . . 0.0 109.031 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -61.0 -41.59 96.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 108.973 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.33 97.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.266 -0.897 . . . . 0.0 109.798 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -59.88 -48.69 80.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.63 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.362 179.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 63.2 tt0 -62.64 -40.05 95.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.328 -0.857 . . . . 0.0 109.518 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -59.94 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.215 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -45.64 92.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.146 -0.971 . . . . 0.0 109.055 179.718 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.03 -45.38 92.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.24 -44.52 97.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.08 -1.012 . . . . 0.0 109.178 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.303 -1.446 0 O-C-N 121.239 -0.913 . . . . 0.0 108.709 179.437 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.71 -39.96 94.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 0.0 109.002 179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.5 t -60.05 -41.46 92.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.2 -0.938 . . . . 0.0 109.075 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.422 ' N ' ' CG2' ' B' ' 5' ' ' THR . 61.8 tp -60.79 -43.71 97.76 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.436 -0.79 . . . . 0.0 109.659 179.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.07 87.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.005 -1.059 . . . . 0.0 108.719 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.58 61.45 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.409 HG22 HD11 ' B' ' 10' ' ' ILE . 96.6 mt -59.94 -49.11 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 109.32 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.07 -46.13 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.402 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.488 -0.757 . . . . 0.0 109.383 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -60.04 -42.19 93.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.18 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.71 -40.45 92.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.053 -1.03 . . . . 0.0 109.12 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.21 -40.74 91.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.915 . . . . 0.0 109.493 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 28.3 mt-30 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.504 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.42 -40.0 92.81 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.141 -0.975 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.11 -44.73 94.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.567 -0.708 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.08 -46.83 88.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.118 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.96 -40.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -44.72 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.086 -1.009 . . . . 0.0 108.733 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.16 -39.98 92.15 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.49 -0.756 . . . . 0.0 109.444 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.606 ' NE ' ' ND2' ' C' ' 99' ' ' ASN . 31.8 mmt180 -60.09 -40.5 89.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.864 . . . . 0.0 109.429 -179.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 108.924 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.446 ' NE2' ' OE1' ' B' ' 97' ' ' GLU . 73.4 tp60 -59.99 -48.07 83.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.227 -0.921 . . . . 0.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -44.21 97.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.131 -0.98 . . . . 0.0 109.58 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.89 -40.05 91.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.296 -0.877 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.97 -40.04 87.71 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.367 -0.833 . . . . 0.0 109.231 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.462 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 58.1 mtt-85 -59.93 -40.41 88.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.903 -1.123 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.0 mt -62.98 -40.92 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.003 -1.06 . . . . 0.0 109.562 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.8 p -65.13 -39.97 93.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.052 -1.03 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.552 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 71.0 t -60.58 -40.84 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -60.01 -43.19 95.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.448 -0.782 . . . . 0.0 110.318 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.67 -46.67 93.02 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -1.232 . . . . 0.0 109.983 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.552 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.1 mttp -61.47 -39.97 92.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.867 -1.146 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.699 HD22 HH21 ' B' ' 41' ' ' ARG . 54.9 t-20 -60.05 -40.73 90.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 109.448 -179.282 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.26 -39.95 92.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.09 -1.006 . . . . 0.0 109.559 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.24 -40.96 92.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.216 -0.928 . . . . 0.0 109.963 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' B' ' 43' ' ' THR . 72.7 p -60.4 -40.59 91.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.088 -1.008 . . . . 0.0 108.594 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.699 HH21 HD22 ' B' ' 37' ' ' ASN . 31.1 mtt-85 -63.74 -40.06 95.8 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.2 -40.42 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 0.0 109.267 179.538 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 40' ' ' THR . 75.2 p -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.961 -1.087 . . . . 0.0 109.28 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -41.6 83.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.903 -1.123 . . . . 0.0 109.317 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.96 -45.96 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.81 -179.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -39.62 87.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.621 -1.3 . . . . 0.0 110.113 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.521 -1.362 . . . . 0.0 109.01 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.5 m-85 -69.47 -39.05 77.95 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.957 -1.089 . . . . 0.0 109.596 178.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.942 -1.099 . . . . 0.0 108.841 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.149 -0.969 . . . . 0.0 108.765 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.774 -1.204 . . . . 0.0 108.653 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.586 ' NE2' HD22 ' C' ' 74' ' ' ASN . 45.2 mt-30 -63.59 -37.94 89.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.037 -1.039 . . . . 0.0 109.623 178.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.6 -32.92 53.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.865 -1.147 . . . . 0.0 108.066 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.052 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.59 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 17.2 t-20 . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.562 0.696 . . . . 0.0 109.128 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.34 124.94 35.33 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -81.41 107.58 14.3 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.96 135.66 37.0 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.798 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.6 t -91.17 114.1 60.5 Favored Pre-proline 0 N--CA 1.491 1.613 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -91.19 -48.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.712 1.608 . . . . 0.0 114.179 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.75 -43.96 2.34 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.99 -48.36 82.03 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.422 -1.424 . . . . 0.0 112.422 -175.477 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.634 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.96 -43.62 64.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.215 -1.553 . . . . 0.0 110.425 -179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.98 -49.94 75.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.123 -0.986 . . . . 0.0 110.393 -178.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.7 -43.43 98.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.051 -1.031 . . . . 0.0 109.629 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 51.4 p -70.04 -40.01 75.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.123 -0.986 . . . . 0.0 110.215 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -67.75 -39.98 84.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.879 -1.138 . . . . 0.0 109.53 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . 0.467 ' C ' ' HE ' ' B' ' 91' ' ' ARG . 93.1 mt-30 -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.554 -1.342 . . . . 0.0 108.358 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.491 ' N ' HH21 ' B' ' 91' ' ' ARG . 88.6 tt0 -62.3 -40.53 96.6 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 108.496 178.517 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -59.95 -49.91 75.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.475 -0.765 . . . . 0.0 109.056 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.4 -39.96 94.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.491 HH21 ' N ' ' B' ' 88' ' ' GLU . 87.1 mtm180 -64.51 -40.79 96.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 110.1 -179.864 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.87 -42.24 97.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.892 -1.13 . . . . 0.0 109.578 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.95 -47.93 83.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.463 -0.773 . . . . 0.0 110.183 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.41 -40.0 95.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.909 -179.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.27 -40.46 77.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.186 -0.946 . . . . 0.0 109.255 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.462 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 53.6 tp10 -61.08 -45.59 94.11 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 108.837 179.09 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.96 87.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.32 -0.863 . . . . 0.0 109.557 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.651 ' ND2' ' NE ' ' A' ' 23' ' ' ARG . 25.5 t30 -60.26 -45.39 93.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 109.436 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.97 -46.92 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.117 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -59.98 -43.49 95.1 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.335 -0.853 . . . . 0.0 109.084 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.34 82.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.424 -0.797 . . . . 0.0 109.11 179.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -45.68 92.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.447 -0.783 . . . . 0.0 109.115 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.08 -43.26 95.61 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.266 -0.896 . . . . 0.0 109.072 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.02 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 108.934 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -60.69 -41.41 95.11 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.052 -1.03 . . . . 0.0 109.319 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.99 97.75 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 109.655 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -49.02 79.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.091 -1.006 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 95.3 mt -60.03 -50.07 81.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.143 -0.973 . . . . 0.0 109.227 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 63.2 tt0 -62.37 -40.04 95.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.32 -0.863 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -59.93 -49.39 77.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.91 . . . . 0.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.07 -45.54 92.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.011 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.05 -45.32 93.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.841 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.55 -44.52 96.88 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.076 -1.015 . . . . 0.0 109.126 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.305 -1.348 0 O-C-N 121.341 -0.849 . . . . 0.0 108.774 179.399 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.4 0.619 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.63 -40.03 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.378 -0.826 . . . . 0.0 109.196 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.0 t -59.92 -41.76 92.43 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.117 -0.99 . . . . 0.0 109.146 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' C' ' 5' ' ' THR . 61.8 tp -60.76 -43.38 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.149 -0.969 . . . . 0.0 108.418 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.43 -39.96 92.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.449 -0.782 . . . . 0.0 109.614 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.1 87.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 108.745 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.95 -46.33 59.93 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 10' ' ' ILE . 96.6 mt -59.96 -49.04 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.321 -1.105 . . . . 0.0 109.274 179.553 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.03 -46.19 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -59.96 -42.09 93.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.42 -0.8 . . . . 0.0 109.373 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.95 -40.13 92.13 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.083 -1.01 . . . . 0.0 109.016 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.39 -40.59 91.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.325 -0.86 . . . . 0.0 109.495 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.1 mt-30 -65.61 -40.02 92.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 109.66 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.5 -40.04 92.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.166 -0.959 . . . . 0.0 108.983 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.07 -44.66 94.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.613 -0.68 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.01 -47.02 87.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.269 -0.894 . . . . 0.0 110.104 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.94 -40.06 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 0.0 109.523 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.97 -44.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 108.859 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.1 -40.12 92.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.628 ' NE ' ' ND2' ' A' ' 99' ' ' ASN . 31.6 mmt180 -60.07 -40.37 89.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.23 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.13 -39.99 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.994 179.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . 0.425 ' NE2' ' OE1' ' C' ' 97' ' ' GLU . 73.5 tp60 -59.98 -48.06 83.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.249 -0.907 . . . . 0.0 108.989 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.5 -44.3 97.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.613 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.73 -40.1 91.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 109.188 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 0.0 109.245 179.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.478 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 58.6 mtt-85 -60.1 -40.05 88.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.115 -0.991 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.448 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.0 mt -63.28 -40.5 97.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.007 -1.058 . . . . 0.0 109.74 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -65.26 -40.0 93.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.465 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.557 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 71.4 t -60.87 -40.76 86.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.232 -0.917 . . . . 0.0 109.409 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.95 -43.05 95.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.346 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.48 -47.09 91.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.13 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -1.232 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . 0.557 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.27 -40.02 92.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.918 -1.114 . . . . 0.0 110.164 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.694 HD22 HH21 ' C' ' 41' ' ' ARG . 55.4 t-20 -59.97 -40.67 89.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 109.489 -179.399 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.27 -39.93 92.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.073 -1.017 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.21 -40.96 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 0.0 110.112 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.448 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.49 -40.4 91.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.969 -1.082 . . . . 0.0 108.676 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.694 HH21 HD22 ' C' ' 37' ' ' ASN . 30.4 mtt-85 -63.84 -39.86 95.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -41.34 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.457 -0.777 . . . . 0.0 109.147 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' C' ' 40' ' ' THR . 74.7 p -60.02 -40.01 87.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.054 -1.029 . . . . 0.0 109.212 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.71 83.49 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.84 -1.163 . . . . 0.0 109.312 179.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -59.95 -45.48 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 0.0 110.969 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.59 -39.27 87.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.539 -1.351 . . . . 0.0 110.088 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.99 -40.1 88.03 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.71 -1.243 . . . . 0.0 109.111 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.5 m-85 -69.67 -39.16 77.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.077 -1.014 . . . . 0.0 109.449 178.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.11 -39.98 88.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.949 -1.094 . . . . 0.0 108.905 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.9 -40.06 87.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 108.769 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.02 -39.87 87.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.806 -1.183 . . . . 0.0 108.627 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.563 ' NE2' HD22 ' A' ' 74' ' ' ASN . 44.8 mt-30 -63.86 -37.83 88.86 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.047 -1.033 . . . . 0.0 109.495 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.47 -32.64 51.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.842 -1.161 . . . . 0.0 108.109 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.117 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.586 HD22 ' NE2' ' B' ' 52' ' ' GLN . 17.0 t-20 . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 121.562 0.696 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.41 124.6 35.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -81.32 107.45 14.12 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 135.38 36.89 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.724 0.773 . . . . 0.0 109.909 -177.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 7.8 t -90.47 113.9 59.23 Favored Pre-proline 0 N--CA 1.49 1.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.759 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.93 -48.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.523 1.482 . . . . 0.0 114.26 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.71 -43.71 2.36 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -59.95 -48.45 81.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.451 -1.406 . . . . 0.0 112.309 -175.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.628 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.6 t30 -72.13 -43.38 64.8 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.144 -1.597 . . . . 0.0 110.347 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 110.463 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.63 -43.73 98.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.684 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 50.0 p -70.04 -40.06 75.37 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.073 -1.017 . . . . 0.0 110.097 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -67.52 -39.99 85.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.833 -1.167 . . . . 0.0 109.465 -179.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . 0.458 ' C ' ' HE ' ' C' ' 91' ' ' ARG . 92.8 mt-30 -59.99 -41.52 92.21 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.606 -1.308 . . . . 0.0 108.329 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.48 ' N ' HH21 ' C' ' 91' ' ' ARG . 88.6 tt0 -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.039 -1.038 . . . . 0.0 108.458 178.65 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.474 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.95 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.45 -40.2 95.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.875 . . . . 0.0 109.624 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . 0.48 HH21 ' N ' ' C' ' 88' ' ' GLU . 87.1 mtm180 -64.01 -40.94 97.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.105 -0.997 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -60.57 -42.63 97.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.839 -1.163 . . . . 0.0 109.644 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.81 -41.4 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.419 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -59.87 -48.27 82.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.41 -0.806 . . . . 0.0 110.119 -179.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -62.15 -40.34 95.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.053 -1.029 . . . . 0.0 109.848 -179.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.96 -40.7 78.72 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.187 -0.945 . . . . 0.0 109.329 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . 0.478 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 53.9 tp10 -60.92 -45.76 93.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.165 -0.959 . . . . 0.0 108.887 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -47.28 86.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.286 -0.883 . . . . 0.0 109.334 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.606 ' ND2' ' NE ' ' B' ' 23' ' ' ARG . 26.4 t30 -59.94 -45.61 92.06 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.008 -1.057 . . . . 0.0 109.435 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.99 -46.7 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 0.0 109.122 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -59.96 -43.5 95.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.186 -0.946 . . . . 0.0 109.157 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.71 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.298 -0.876 . . . . 0.0 109.089 179.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.94 -45.69 91.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.23 -43.14 96.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -0.968 . . . . 0.0 109.12 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.92 -49.64 76.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.226 -0.921 . . . . 0.0 108.96 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.27 -41.47 96.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.933 . . . . 0.0 109.15 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.67 98.39 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.168 -0.957 . . . . 0.0 109.661 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.01 -49.11 78.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.696 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.07 -49.8 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.236 -0.915 . . . . 0.0 109.335 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' B' ' 16' ' ' GLN . 63.2 tt0 -62.56 -40.09 95.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 0.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -59.96 -49.39 77.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -45.74 91.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.04 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.0 -45.46 92.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.722 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.15 -44.53 97.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.958 -1.089 . . . . 0.0 109.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.304 -1.382 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.522 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 3' ' ' SER . 16.3 p . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' A' ' 4' ' ' ARG . 58.4 mtt-85 -68.09 -40.02 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.2 -0.937 . . . . 0.0 109.302 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -60.97 -40.71 94.44 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.283 -0.886 . . . . 0.0 109.175 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.12 -43.79 95.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.05 -1.031 . . . . 0.0 108.406 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.18 -40.01 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.531 -0.73 . . . . 0.0 109.597 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.65 94.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.015 -1.053 . . . . 0.0 108.2 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.61 -45.4 85.09 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 10' ' ' ILE . 86.5 mt -59.95 -46.46 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -1.171 . . . . 0.0 109.619 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.98 -42.53 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.114 . . . . 0.0 109.07 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.34 -39.97 89.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.96 -41.95 93.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.93 . . . . 0.0 109.687 -178.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.04 -41.8 97.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.97 -1.081 . . . . 0.0 109.196 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -44.05 94.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.362 -0.836 . . . . 0.0 109.193 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.5 mt-30 -61.13 -42.67 98.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.208 -0.933 . . . . 0.0 109.3 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.37 -41.44 98.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.0 109.378 179.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.03 -43.33 95.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.478 -0.764 . . . . 0.0 109.014 179.515 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 55.1 t0 -59.98 -49.16 78.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.692 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.99 -40.78 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -43.54 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.912 . . . . 0.0 108.95 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.89 -41.58 96.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.781 . . . . 0.0 109.049 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -60.71 -40.09 90.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.653 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.173 -0.954 . . . . 0.0 108.601 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.01 -49.13 78.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.377 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.56 -42.23 98.36 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.994 -1.067 . . . . 0.0 109.499 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.33 -41.14 96.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 109.1 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.45 -0.781 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.1 -41.04 91.66 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.04 -1.038 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -60.98 -41.68 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.471 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 74.2 p -62.9 -40.01 96.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.055 -1.028 . . . . 0.0 109.581 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.471 ' N ' ' HG1' ' A' ' 31' ' ' THR . 68.8 t -61.25 -40.05 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.419 -0.8 . . . . 0.0 109.449 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.02 -42.25 93.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -0.925 . . . . 0.0 109.746 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.0 96.32 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.2 m -59.92 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.08 -1.247 . . . . 0.0 108.968 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -60.79 -40.05 91.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.055 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.451 ' O ' ' OG1' ' A' ' 40' ' ' THR . 51.8 t-20 -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.339 -0.85 . . . . 0.0 109.875 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.885 -1.135 . . . . 0.0 108.226 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.284 -0.885 . . . . 0.0 109.18 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 50.6 p -60.05 -43.01 95.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.217 -179.638 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.581 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.8 mtt-85 -63.25 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.729 -1.232 . . . . 0.0 108.575 178.587 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.34 -42.9 92.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.506 -0.746 . . . . 0.0 109.531 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 40' ' ' THR . 40.7 p -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.971 -1.081 . . . . 0.0 109.809 -179.482 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.95 98.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.994 -1.066 . . . . 0.0 109.096 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.44 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.49 -0.756 . . . . 0.0 109.238 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.77 -41.57 97.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.125 -0.984 . . . . 0.0 109.392 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.5 m-85 -69.97 -37.88 75.91 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.893 . . . . 0.0 109.081 179.14 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.862 -1.149 . . . . 0.0 108.92 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.58 -40.28 91.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.69 -1.256 . . . . 0.0 108.194 178.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.484 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -40.09 79.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.601 -179.793 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.06 81.37 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.964 -1.085 . . . . 0.0 108.414 179.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.771 -179.685 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 121.351 0.596 . . . . 0.0 109.936 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.67 124.05 35.52 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.4 p -83.6 103.07 12.63 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.419 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.8 mt -81.07 134.77 35.72 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.361 0.6 . . . . 0.0 109.739 -178.229 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 78' ' ' THR . 13.8 t -94.98 111.41 54.52 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -93.0 -47.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.809 1.673 . . . . 0.0 114.323 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.47 -45.25 2.32 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.316 -0.865 . . . . 0.0 113.215 -177.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.05 -55.26 36.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.299 -1.5 . . . . 0.0 112.185 -176.377 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.71 41.33 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 119.963 -1.711 . . . . 0.0 109.8 -179.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.0 -48.06 83.28 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.961 . . . . 0.0 109.455 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.66 -40.69 97.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.156 -0.965 . . . . 0.0 109.67 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.6 p -68.49 -39.87 81.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.038 -1.038 . . . . 0.0 109.424 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.521 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 57.9 t-105 -61.4 -40.22 93.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.939 -1.101 . . . . 0.0 109.225 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.95 91.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.76 -1.213 . . . . 0.0 108.897 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 -40.12 91.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.021 -1.05 . . . . 0.0 108.987 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 53.6 t90 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 109.359 179.118 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.92 -40.05 96.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.413 -0.804 . . . . 0.0 109.26 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' HG3' HH11 ' A' ' 91' ' ' ARG . 19.7 mmm-85 -60.14 -42.73 95.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.358 -0.839 . . . . 0.0 109.842 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.15 -42.6 95.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.935 -1.103 . . . . 0.0 109.383 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.57 -40.56 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.269 -0.895 . . . . 0.0 109.192 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.91 -46.55 88.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -61.41 -43.25 99.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.975 -1.078 . . . . 0.0 109.946 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.87 -40.99 88.01 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.059 -1.026 . . . . 0.0 109.096 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.11 -47.0 87.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.261 -0.899 . . . . 0.0 109.0 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.0 -42.35 94.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.284 -0.885 . . . . 0.0 109.286 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.88 -40.02 91.22 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.233 -0.917 . . . . 0.0 109.665 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.76 -42.97 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 0.0 109.106 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -61.16 -43.87 98.2 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.931 . . . . 0.0 109.684 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.65 -42.49 98.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.91 . . . . 0.0 109.426 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.23 -44.7 94.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 0.0 109.233 179.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 -48.87 79.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.182 -0.948 . . . . 0.0 108.855 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.19 -41.97 97.75 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.57 92.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.197 -0.939 . . . . 0.0 109.513 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.98 -49.72 76.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.19 -0.944 . . . . 0.0 109.451 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.405 -0.809 . . . . 0.0 109.282 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 64.0 tt0 -61.45 -40.34 94.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -59.93 -50.01 75.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.465 -0.772 . . . . 0.0 109.532 -179.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.96 -45.96 90.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.588 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.2 -41.35 92.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 0.0 109.903 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.99 -49.71 76.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.033 -1.042 . . . . 0.0 109.608 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 0.0 108.692 179.726 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 3' ' ' SER . 15.9 p . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' B' ' 4' ' ' ARG . 56.8 mtt-85 -67.74 -40.02 84.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -61.1 -40.79 95.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.18 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.97 -43.74 94.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 108.414 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.3 -40.0 88.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.549 -0.72 . . . . 0.0 109.515 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.4 94.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.431 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.63 -45.31 85.78 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.013 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.419 HD11 HG22 ' B' ' 10' ' ' ILE . 86.3 mt -60.01 -46.5 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.314 -1.109 . . . . 0.0 109.656 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.03 -42.17 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.955 -1.091 . . . . 0.0 109.046 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 109.746 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.94 -41.67 92.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -178.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.12 -41.95 97.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.947 -1.096 . . . . 0.0 109.074 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.94 -43.92 94.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -0.89 . . . . 0.0 109.118 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.31 -42.41 98.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -0.947 . . . . 0.0 109.297 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.69 -41.43 98.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.95 -43.42 95.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.29 -0.881 . . . . 0.0 109.181 179.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.299 -0.876 . . . . 0.0 109.821 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.98 -40.99 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.976 -1.077 . . . . 0.0 109.397 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -43.74 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.211 -0.931 . . . . 0.0 108.766 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.5 -42.06 95.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.48 -0.762 . . . . 0.0 109.191 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -60.5 -39.94 89.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.77 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.12 -39.92 87.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.17 -0.956 . . . . 0.0 108.653 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.98 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 109.335 179.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.99 -41.88 97.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.115 -0.991 . . . . 0.0 109.37 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.52 -41.13 96.87 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.0 109.017 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.378 -0.826 . . . . 0.0 109.889 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.25 -41.08 92.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 109.287 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.401 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.4 mt -61.08 -41.66 97.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.16 -0.962 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.478 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 75.7 p -62.81 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.066 -1.021 . . . . 0.0 109.545 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.478 ' N ' ' HG1' ' B' ' 31' ' ' THR . 68.6 t -61.18 -40.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.442 -0.786 . . . . 0.0 109.454 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.97 -42.37 94.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.781 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.55 -44.89 96.41 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -59.96 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.013 -1.286 . . . . 0.0 108.975 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.97 -39.99 91.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.934 179.3 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.434 ' O ' ' OG1' ' B' ' 40' ' ' THR . 52.7 t-20 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.454 -0.779 . . . . 0.0 109.925 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.869 -1.144 . . . . 0.0 108.132 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.93 -39.99 87.4 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.404 -0.81 . . . . 0.0 109.292 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 50.2 p -60.03 -42.97 95.55 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.928 -1.107 . . . . 0.0 109.216 -179.693 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.574 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.1 mtt-85 -63.12 -40.07 96.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.746 -1.221 . . . . 0.0 108.523 178.464 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -42.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.478 -0.764 . . . . 0.0 109.64 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -40.03 88.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.0 -1.062 . . . . 0.0 109.799 -179.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.15 98.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.022 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.12 -40.01 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.763 . . . . 0.0 109.234 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.363 -178.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.32 -41.47 98.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.115 -0.991 . . . . 0.0 109.091 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -70.06 -37.68 75.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.105 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.03 -40.31 88.9 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.955 -1.091 . . . . 0.0 109.008 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.35 -40.25 90.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.713 -1.242 . . . . 0.0 108.108 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.17 -39.97 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.056 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -39.9 78.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 108.602 -179.739 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.93 82.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.948 -1.095 . . . . 0.0 108.374 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 109.617 -179.714 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.135 0 CA-C-O 121.479 0.657 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.05 123.88 35.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 6.8 p -83.56 103.05 12.58 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 mt -81.21 134.69 35.66 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.296 0.57 . . . . 0.0 109.685 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' B' ' 78' ' ' THR . 14.0 t -94.91 111.29 53.95 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.57 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -92.96 -47.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.667 1.578 . . . . 0.0 114.293 -179.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.52 -45.42 2.31 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.194 -0.941 . . . . 0.0 113.203 -177.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -59.96 -55.13 37.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.326 -1.484 . . . . 0.0 112.199 -176.34 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 9.3 t-20 -79.5 -35.46 40.11 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 119.93 -1.731 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.03 -47.95 83.71 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.144 -0.973 . . . . 0.0 109.486 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.78 -40.66 97.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.051 -1.031 . . . . 0.0 109.671 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -68.48 -39.96 81.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 109.329 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.517 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 57.7 t-105 -61.5 -40.12 93.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.944 -1.098 . . . . 0.0 109.146 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.01 -41.1 91.42 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.882 -1.136 . . . . 0.0 108.848 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.74 -40.14 91.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.126 -0.984 . . . . 0.0 108.958 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.517 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.1 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.375 -0.828 . . . . 0.0 109.312 179.122 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.39 -40.57 96.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.49 -0.757 . . . . 0.0 109.297 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -60.07 -42.49 94.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 109.867 -179.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.24 -42.63 95.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.934 -1.104 . . . . 0.0 109.464 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -40.31 88.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.0 109.172 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.04 -46.55 89.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.858 . . . . 0.0 110.057 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -61.37 -43.17 99.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.897 -1.127 . . . . 0.0 109.976 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.85 -41.1 87.9 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.077 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.11 -46.4 89.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.0 109.086 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.7 -42.15 96.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.312 -0.867 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.01 -39.96 90.7 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.271 -0.893 . . . . 0.0 109.68 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.78 -42.77 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 0.0 109.083 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 46.8 p -61.59 -43.63 98.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.503 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.736 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.76 -41.9 98.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.67 -44.65 96.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.011 -1.055 . . . . 0.0 109.14 179.224 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -49.11 78.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.163 -0.96 . . . . 0.0 108.82 179.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.17 -41.58 97.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 109.396 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.37 93.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.26 -0.9 . . . . 0.0 109.522 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -49.94 75.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.256 -0.903 . . . . 0.0 109.386 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.04 -50.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.38 -0.825 . . . . 0.0 109.361 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.421 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 64.1 tt0 -61.29 -40.31 93.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 0.0 109.173 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -59.98 -49.96 75.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.425 -0.797 . . . . 0.0 109.564 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.11 -45.94 91.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -0.88 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.262 -0.899 . . . . 0.0 109.802 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.011 -1.056 . . . . 0.0 109.67 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 0.0 108.821 179.79 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 3' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' C' ' 3' ' ' SER . 16.1 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' C' ' 4' ' ' ARG . 56.9 mtt-85 -67.81 -39.95 83.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.65 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -61.39 -40.43 94.32 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.25 -43.69 95.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.967 . . . . 0.0 108.41 179.493 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.26 -40.01 88.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.668 -0.645 . . . . 0.0 109.65 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.33 94.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.023 -1.048 . . . . 0.0 108.351 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.84 87.67 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.408 HD11 HG22 ' C' ' 10' ' ' ILE . 86.4 mt -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.334 -1.098 . . . . 0.0 109.753 179.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.09 -42.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.42 -39.94 89.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 179.095 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -41.81 93.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.0 109.8 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.1 -41.77 97.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.915 -1.116 . . . . 0.0 109.13 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -43.78 95.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.218 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.6 mt-30 -61.48 -42.35 98.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.914 . . . . 0.0 109.257 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -41.23 97.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -0.867 . . . . 0.0 109.183 179.36 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.04 -43.48 95.31 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.24 -0.912 . . . . 0.0 109.056 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.04 -48.8 80.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.263 -0.898 . . . . 0.0 109.749 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.05 -40.76 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.004 -1.06 . . . . 0.0 109.413 -179.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -43.38 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.231 -0.918 . . . . 0.0 108.991 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.35 -41.07 96.45 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -61.28 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.457 -0.777 . . . . 0.0 109.587 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.03 -40.05 87.98 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.523 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 0.0 109.376 179.444 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.83 -42.05 97.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 0.0 109.37 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.48 -41.2 96.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.473 -0.767 . . . . 0.0 108.99 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.05 -40.32 89.03 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.28 -40.28 89.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.43 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -61.69 -41.55 97.74 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.465 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 71.4 p -62.85 -39.98 96.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 109.58 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.465 ' N ' ' HG1' ' C' ' 31' ' ' THR . 68.7 t -61.28 -39.98 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.437 -0.789 . . . . 0.0 109.399 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.01 -42.36 94.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.837 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.91 96.31 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.896 -1.355 . . . . 0.0 109.052 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.9 -39.87 90.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.013 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.446 ' O ' ' OG1' ' C' ' 40' ' ' THR . 51.4 t-20 -60.09 -40.03 88.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 109.829 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.96 -39.9 87.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.937 -1.102 . . . . 0.0 108.202 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.128 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 49.7 p -60.11 -43.05 95.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.872 -1.143 . . . . 0.0 109.039 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.573 HH22 ' CG ' ' A' ' 82' ' ' ASN . 46.3 mtt-85 -63.2 -40.09 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.441 178.694 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.41 -42.85 92.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.436 -0.79 . . . . 0.0 109.618 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.979 -1.076 . . . . 0.0 109.837 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.03 98.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.009 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.414 HG22 HD11 ' C' ' 45' ' ' ILE . 88.1 mt -60.35 -39.85 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.524 -0.735 . . . . 0.0 109.256 179.195 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -40.73 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.967 . . . . 0.0 109.275 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.52 -41.69 97.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.097 -1.002 . . . . 0.0 109.293 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -69.97 -37.71 75.87 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 109.235 179.181 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.08 -40.32 89.13 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.91 -1.119 . . . . 0.0 108.836 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.28 -40.53 90.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.654 -1.279 . . . . 0.0 108.148 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.09 -39.98 87.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.539 -0.726 . . . . 0.0 109.066 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -39.87 78.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.126 -0.984 . . . . 0.0 108.464 -179.776 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.12 82.66 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.984 -1.073 . . . . 0.0 108.428 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.878 . . . . 0.0 109.786 -179.72 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 121.451 0.643 . . . . 0.0 110.011 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 123.93 35.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.233 -179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 6.5 p -83.77 102.9 12.63 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.91 134.73 35.78 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.407 0.622 . . . . 0.0 109.694 -178.206 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' C' ' 78' ' ' THR . 14.1 t -95.1 111.36 54.51 Favored Pre-proline 0 N--CA 1.492 1.636 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -93.02 -47.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.014 0 C-N-CA 121.673 1.582 . . . . 0.0 114.243 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.19 -45.59 2.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.299 -0.876 . . . . 0.0 113.273 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.3 p90 -60.02 -55.12 37.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.174 -1.578 . . . . 0.0 112.278 -176.374 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.72 41.3 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 119.916 -1.74 . . . . 0.0 109.709 -179.611 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.04 -47.85 84.15 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.126 -0.984 . . . . 0.0 109.357 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.96 -40.58 98.11 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.067 -1.021 . . . . 0.0 109.696 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.3 p -68.45 -39.92 81.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.95 -1.094 . . . . 0.0 109.377 179.491 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.522 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 58.2 t-105 -61.42 -40.25 93.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 109.086 -179.679 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.96 91.1 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.831 -1.168 . . . . 0.0 108.944 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.78 -40.08 91.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.105 -0.997 . . . . 0.0 108.879 179.475 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.522 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 53.0 t90 -60.04 -49.96 75.62 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.249 -0.907 . . . . 0.0 109.38 179.159 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.67 -40.11 96.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.469 -0.769 . . . . 0.0 109.226 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' C' ' 91' ' ' ARG . 19.4 mmm-85 -60.24 -42.6 95.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.285 -0.885 . . . . 0.0 109.885 -179.816 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.19 -42.72 95.68 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.968 -1.082 . . . . 0.0 109.48 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.42 -40.38 87.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.12 -0.987 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.92 -46.38 89.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.197 -0.939 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -61.85 -43.1 99.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.937 -1.102 . . . . 0.0 109.857 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.82 -41.06 88.11 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.071 -1.018 . . . . 0.0 109.015 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.26 -46.51 89.56 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 0.0 109.029 179.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.44 -42.49 96.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.337 -0.852 . . . . 0.0 109.181 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -65.48 -40.42 93.1 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.227 -0.921 . . . . 0.0 109.749 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.71 -42.23 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 109.197 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 46.3 p -62.01 -43.54 98.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.153 -0.967 . . . . 0.0 109.568 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.48 77.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.48 -42.38 98.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 109.511 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.41 -44.5 95.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.007 -1.058 . . . . 0.0 109.128 179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -48.95 79.6 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.181 -0.95 . . . . 0.0 108.908 179.666 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.2 -42.09 97.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.295 -0.878 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.5 92.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.02 -49.84 76.1 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.209 -0.932 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.11 -49.93 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.285 -0.884 . . . . 0.0 109.507 179.536 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.45 -40.19 93.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.477 -179.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -46.12 90.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.221 -0.924 . . . . 0.0 109.537 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.23 -41.28 92.76 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 109.735 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -60.99 -49.8 75.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.975 -1.078 . . . . 0.0 109.531 179.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 108.835 179.799 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -63.51 -39.77 95.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.38 -0.825 . . . . 0.0 109.634 179.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.6 t -59.6 -43.36 93.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.159 -0.963 . . . . 0.0 108.783 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' A' ' 5' ' ' THR . 63.4 tp -62.49 -40.95 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.052 -1.03 . . . . 0.0 108.504 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.43 -37.58 80.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.682 -0.636 . . . . 0.0 109.342 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.97 90.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.15 62.49 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -59.64 -50.07 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.578 -0.954 . . . . 0.0 109.415 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.85 -44.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.119 -0.988 . . . . 0.0 108.691 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.15 -40.32 93.42 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.307 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.73 -41.88 91.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.464 -0.772 . . . . 0.0 109.644 -179.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.98 -40.59 93.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 109.539 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -60.09 -46.26 90.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 109.999 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.49 -41.28 93.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.564 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.58 -41.71 98.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.042 -1.036 . . . . 0.0 109.001 179.122 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.9 -45.75 91.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.256 -0.902 . . . . 0.0 109.452 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.31 -0.869 . . . . 0.0 109.623 -179.088 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.12 -41.31 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 109.088 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -49.46 83.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.201 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -61.7 -40.29 94.47 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.743 0.783 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.557 ' NH2' HD22 ' B' ' 99' ' ' ASN . 11.4 tpp180 -60.71 -39.44 88.58 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.03 -39.52 86.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.109 -0.995 . . . . 0.0 108.562 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -60.18 -42.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.399 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -67.18 -40.7 86.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.62 -1.3 . . . . 0.0 109.353 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.28 -41.07 92.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.121 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.0 -38.91 84.02 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.491 HH22 ' CD ' ' A' ' 97' ' ' GLU . 49.5 mtt-85 -60.07 -40.89 91.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.93 -1.106 . . . . 0.0 108.846 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 79.8 mt -62.23 -41.63 98.58 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.226 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.566 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 54.9 p -63.51 -39.63 94.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 109.606 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.566 ' N ' ' HG1' ' A' ' 31' ' ' THR . 53.8 t -60.62 -40.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -59.57 -43.48 93.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -45.12 96.01 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.5 m -60.19 -50.09 75.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -1.142 . . . . 0.0 108.803 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.11 -40.13 92.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 178.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.517 HD22 HD22 ' B' ' 82' ' ' ASN . 44.2 t-20 -59.56 -40.32 86.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.481 -0.762 . . . . 0.0 109.101 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.51 -39.42 87.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.711 -1.243 . . . . 0.0 108.758 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.36 -39.47 87.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.138 -0.976 . . . . 0.0 109.089 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 50.5 p -60.34 -43.46 96.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.025 -1.047 . . . . 0.0 108.939 -179.536 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.601 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 55.3 mtt-85 -62.24 -39.99 94.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.743 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.12 -45.08 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.592 -0.693 . . . . 0.0 109.956 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -60.13 -39.8 87.55 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.61 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.53 99.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.97 -1.081 . . . . 0.0 108.449 178.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.31 -39.63 81.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.53 -40.33 91.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.527 -178.226 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.03 -39.99 95.32 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.596 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 62.1 m-85 -69.78 -38.43 76.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.333 -0.854 . . . . 0.0 109.436 179.492 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD21 HE22 ' C' ' 52' ' ' GLN . 55.3 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 179.648 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.836 -1.165 . . . . 0.0 108.918 179.145 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.22 -39.83 91.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.637 -0.664 . . . . 0.0 109.992 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.624 ' NE2' HD22 ' B' ' 74' ' ' ASN . 26.0 mt-30 -60.28 -39.82 88.25 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.93 -1.106 . . . . 0.0 109.801 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.77 78.66 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 N--CA 1.487 1.386 0 O-C-N 121.502 -0.749 . . . . 0.0 109.053 179.118 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.619 HD22 ' NE2' ' C' ' 52' ' ' GLN . 18.2 t-20 . . . . . 0 N--CA 1.503 2.188 0 CA-C-O 121.396 0.617 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.5 123.27 35.68 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.4 p -83.14 106.07 14.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.2 mt -82.79 134.38 35.12 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.42 0.629 . . . . 0.0 109.409 -178.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 78' ' ' THR . 15.2 t -92.33 112.41 55.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.606 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -92.64 -48.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.432 1.421 . . . . 0.0 114.532 -178.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.4 -45.35 2.33 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.171 -0.955 . . . . 0.0 113.062 -177.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.55 32.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.253 -1.529 . . . . 0.0 112.738 -176.149 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -76.38 -39.74 52.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 119.976 -1.702 . . . . 0.0 109.749 -179.275 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.12 -45.18 93.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.57 -42.08 95.91 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.001 . . . . 0.0 108.498 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 53.6 p -68.7 -39.94 80.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.197 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.413 ' N ' ' HG1' ' A' ' 85' ' ' THR . 41.0 t-105 -61.52 -39.81 92.38 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 -179.785 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.79 92.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.013 -1.054 . . . . 0.0 108.668 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -41.83 97.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.917 -1.115 . . . . 0.0 108.561 178.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.456 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.9 t90 -60.07 -49.45 77.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.921 . . . . 0.0 109.675 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.58 -40.52 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.086 -1.009 . . . . 0.0 109.835 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.89 -40.69 87.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -60.39 -41.07 93.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.806 -1.184 . . . . 0.0 108.677 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.9 -40.46 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.177 -0.952 . . . . 0.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.53 -40.84 96.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.597 -0.69 . . . . 0.0 110.71 -179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.75 -39.97 84.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.713 -1.242 . . . . 0.0 109.001 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.32 -40.26 93.49 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.491 ' CD ' HH22 ' A' ' 29' ' ' ARG . 40.9 tt0 -60.26 -48.77 80.32 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -0.95 . . . . 0.0 109.275 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.0 93.35 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.595 HD22 ' NH2' ' C' ' 23' ' ' ARG . 39.9 t-20 -64.65 -44.92 88.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.1 -41.87 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.139 -0.975 . . . . 0.0 109.34 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -60.81 -41.0 94.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 179.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.34 77.92 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.15 -0.969 . . . . 0.0 108.866 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.32 -43.1 96.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.443 -0.786 . . . . 0.0 109.601 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.85 -41.27 95.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.215 -0.928 . . . . 0.0 108.785 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.07 -44.56 97.19 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.576 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' A' ' 110' ' ' GLN . 99.4 mt-10 -64.66 -40.07 94.78 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.151 -0.968 . . . . 0.0 109.394 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.39 96.23 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.494 -0.754 . . . . 0.0 109.79 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.83 -45.73 91.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.57 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.88 -49.19 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLU . 1.8 mp0 -67.0 -40.26 87.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.87 -1.144 . . . . 0.0 109.799 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.03 -49.05 79.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.341 -0.849 . . . . 0.0 109.376 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.86 -41.78 97.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 0.0 109.293 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -61.68 -40.51 95.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.06 -1.025 . . . . 0.0 109.576 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.43 -44.87 95.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.053 -1.029 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.175 -0.953 . . . . 0.0 108.617 179.248 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -63.53 -39.65 94.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.486 -0.759 . . . . 0.0 109.683 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.8 t -59.89 -43.34 94.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.189 -0.944 . . . . 0.0 108.588 -179.545 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.451 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.9 tp -62.68 -40.73 98.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 108.494 178.686 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.41 -37.73 80.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.033 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.79 89.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -47.75 62.82 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 178.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.49 -49.6 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.531 -0.982 . . . . 0.0 109.35 179.355 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -43.96 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.081 -1.012 . . . . 0.0 108.59 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.72 -40.92 94.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 108.881 178.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.61 -41.6 90.73 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.629 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.38 -40.21 93.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.113 -0.992 . . . . 0.0 109.789 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -60.35 -46.1 91.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 109.915 -179.46 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.77 -41.71 96.03 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.03 -1.043 . . . . 0.0 109.689 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.09 -41.26 99.37 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.64 -44.92 95.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.328 -0.857 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.49 -47.4 86.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.731 -179.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.28 -41.42 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.316 -0.953 . . . . 0.0 109.134 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.69 -49.59 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.368 -0.832 . . . . 0.0 108.901 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.6 -40.11 93.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.458 -0.776 . . . . 0.0 108.991 179.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.567 ' NH2' HD22 ' C' ' 99' ' ' ASN . 11.3 tpp180 -60.83 -39.11 87.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 109.037 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.22 -39.32 86.22 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -59.77 -42.5 93.43 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 109.593 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.77 -40.12 84.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.773 -1.204 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.49 -40.61 91.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.294 -0.878 . . . . 0.0 109.003 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.55 -39.03 86.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.697 -0.627 . . . . 0.0 109.472 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.504 ' NH1' ' OE1' ' B' ' 97' ' ' GLU . 51.3 mtt-85 -60.14 -40.57 90.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.154 -0.966 . . . . 0.0 108.923 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.7 mt -62.5 -41.25 98.69 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.051 -1.031 . . . . 0.0 109.236 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.56 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 54.5 p -63.76 -40.41 96.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.163 -0.961 . . . . 0.0 109.564 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.56 ' N ' ' HG1' ' B' ' 31' ' ' THR . 57.1 t -59.7 -40.18 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 108.914 179.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.08 -42.91 95.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.523 -0.736 . . . . 0.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.13 96.42 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 109.778 -179.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.892 -1.358 . . . . 0.0 109.111 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -40.56 94.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.615 178.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.551 HD22 HD22 ' C' ' 82' ' ' ASN . 43.3 t-20 -58.91 -40.67 85.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.152 -0.967 . . . . 0.0 109.262 -179.686 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -40.38 86.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.759 -1.213 . . . . 0.0 108.64 179.351 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.89 -40.35 88.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.237 -0.914 . . . . 0.0 108.977 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 51.9 p -59.67 -44.06 93.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.824 -1.172 . . . . 0.0 109.1 -179.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.585 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 55.3 mtt-85 -61.68 -40.33 94.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.906 -1.121 . . . . 0.0 108.585 178.474 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.98 -44.64 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.594 -0.691 . . . . 0.0 110.037 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -60.17 -40.36 89.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.707 -1.245 . . . . 0.0 109.546 -179.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.84 99.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.016 -1.052 . . . . 0.0 108.544 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.11 -39.93 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.79 -40.56 88.74 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.829 -178.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.13 -40.18 95.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.373 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -69.76 -38.42 76.75 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.141 -0.974 . . . . 0.0 109.481 179.312 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.417 HD21 HE22 ' A' ' 52' ' ' GLN . 57.6 mt -59.78 -41.21 90.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.0 109.476 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.76 -40.29 91.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.94 -1.1 . . . . 0.0 108.685 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.15 -40.44 89.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.705 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.622 ' NE2' HD22 ' C' ' 74' ' ' ASN . 27.1 mt-30 -60.37 -39.65 87.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.743 -1.223 . . . . 0.0 109.553 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.53 78.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.142 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.029 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.624 HD22 ' NE2' ' A' ' 52' ' ' GLN . 18.5 t-20 . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 121.257 0.551 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.58 123.56 36.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 108.834 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -83.34 106.06 14.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.73 134.33 35.14 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.479 0.657 . . . . 0.0 109.334 -178.075 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' B' ' 78' ' ' THR . 15.3 t -92.25 112.31 54.55 Favored Pre-proline 0 N--CA 1.491 1.621 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -92.74 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.462 1.442 . . . . 0.0 114.631 -178.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -121.72 -45.28 2.29 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.321 -0.862 . . . . 0.0 112.967 -177.122 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -60.31 -55.86 28.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.512 -1.368 . . . . 0.0 112.591 -176.183 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -76.09 -40.01 54.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.943 -1.723 . . . . 0.0 109.766 -179.194 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.96 -45.45 92.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.206 -0.934 . . . . 0.0 109.688 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -42.62 94.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.883 -1.136 . . . . 0.0 108.584 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.403 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 61.2 p -68.47 -39.97 81.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.07 179.524 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.403 ' N ' ' HG1' ' B' ' 85' ' ' THR . 40.3 t-105 -61.18 -40.29 93.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.012 -1.055 . . . . 0.0 108.835 179.803 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.14 -42.11 89.9 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.316 -0.954 . . . . 0.0 108.792 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -41.77 97.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.981 -1.075 . . . . 0.0 108.735 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.438 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.6 t90 -60.12 -49.77 76.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.685 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.305 -0.872 . . . . 0.0 109.472 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -66.38 -40.35 89.64 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.368 -0.833 . . . . 0.0 110.154 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -60.0 -42.74 94.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.932 -1.105 . . . . 0.0 108.532 179.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.51 -40.98 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.281 -0.887 . . . . 0.0 109.027 178.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -61.11 -40.77 95.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.256 -0.903 . . . . 0.0 110.927 -179.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -67.82 -40.25 83.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.636 -1.29 . . . . 0.0 108.928 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.68 -40.87 96.15 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.746 . . . . 0.0 109.377 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.504 ' OE1' ' NH1' ' B' ' 29' ' ' ARG . 40.3 tt0 -60.05 -49.0 79.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.854 . . . . 0.0 109.187 179.621 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.07 -40.39 93.47 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.211 -0.931 . . . . 0.0 109.192 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.557 HD22 ' NH2' ' A' ' 23' ' ' ARG . 39.3 t-20 -64.51 -44.97 89.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.17 -42.11 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.084 -1.01 . . . . 0.0 109.397 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 44.8 p -60.75 -40.89 94.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.19 78.5 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.125 -0.984 . . . . 0.0 109.175 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.55 -44.11 96.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 0.0 109.566 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.59 -41.82 98.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.153 -0.967 . . . . 0.0 108.957 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -60.9 -43.76 98.05 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.296 -0.878 . . . . 0.0 109.325 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 110' ' ' GLN . 98.1 mt-10 -64.72 -40.63 95.67 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.042 -1.036 . . . . 0.0 109.032 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.434 -0.791 . . . . 0.0 109.876 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.999 -1.063 . . . . 0.0 109.365 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.99 -49.63 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.769 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 106' ' ' GLU . 1.8 mp0 -67.5 -39.94 85.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.135 -0.978 . . . . 0.0 109.691 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.23 -48.93 79.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.009 -1.057 . . . . 0.0 109.487 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.59 -41.81 98.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.39 -0.819 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -61.01 -40.78 94.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.095 -1.003 . . . . 0.0 109.394 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.58 -44.54 96.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.992 -1.068 . . . . 0.0 109.252 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 C--N 1.303 -1.447 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.577 179.31 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.05 -39.44 94.1 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 110.123 179.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.5 -43.43 93.34 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.203 -0.936 . . . . 0.0 108.66 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.455 ' N ' ' CG2' ' C' ' 5' ' ' THR . 63.9 tp -62.39 -41.04 98.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.949 -1.095 . . . . 0.0 108.399 178.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.05 -37.63 81.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.367 -0.833 . . . . 0.0 109.229 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.23 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.64 -47.65 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.93 -50.06 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.524 -0.986 . . . . 0.0 109.394 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.17 -44.29 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.003 -1.061 . . . . 0.0 108.64 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.95 -40.29 92.75 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -59.23 -42.35 90.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 110.045 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.08 -40.48 93.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 109.727 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.02 -46.65 88.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.13 -42.29 94.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.536 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.38 -41.63 98.78 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.924 -1.11 . . . . 0.0 109.101 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.58 -45.22 94.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.352 -0.842 . . . . 0.0 109.268 -179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.62 -47.73 84.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.27 -41.05 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.354 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.3 -49.62 83.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.465 -0.772 . . . . 0.0 109.028 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.58 -40.41 94.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.815 -0.754 . . . . 0.0 108.997 179.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.595 ' NH2' HD22 ' A' ' 99' ' ' ASN . 11.5 tpp180 -59.5 -40.29 86.57 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.451 -0.78 . . . . 0.0 109.193 179.494 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.78 -39.39 84.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 108.938 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.09 -42.29 94.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.219 -0.925 . . . . 0.0 109.688 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.82 -40.31 83.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.754 -1.217 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 36.7 tp -59.92 -41.25 91.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.453 -0.78 . . . . 0.0 109.21 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.29 -38.62 84.17 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.611 -0.681 . . . . 0.0 109.345 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' C' ' 97' ' ' GLU . 50.2 mtt-85 -60.16 -40.49 90.09 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.117 -0.99 . . . . 0.0 108.884 -179.236 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 81.2 mt -62.5 -40.99 98.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.038 -1.039 . . . . 0.0 109.399 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.555 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 50.1 p -63.93 -40.29 96.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.178 -0.951 . . . . 0.0 109.455 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.555 ' N ' ' HG1' ' C' ' 31' ' ' THR . 53.1 t -59.82 -40.38 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -59.95 -43.56 94.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.19 95.44 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.924 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.3 -49.88 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.806 -1.408 . . . . 0.0 109.103 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.55 -40.15 93.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.45 -0.781 . . . . 0.0 109.458 179.023 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.581 HD22 HD22 ' A' ' 82' ' ' ASN . 41.5 t-20 -59.07 -40.89 86.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.471 -0.768 . . . . 0.0 109.118 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.67 -40.03 86.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.841 -1.162 . . . . 0.0 108.71 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.23 -40.28 89.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 108.834 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 57.0 p -59.72 -43.72 94.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.953 -1.092 . . . . 0.0 109.063 -179.301 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.63 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 54.1 mtt-85 -62.35 -39.36 92.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.995 -1.065 . . . . 0.0 108.81 178.437 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.94 -44.54 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.607 -0.683 . . . . 0.0 109.739 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -60.01 -40.89 90.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.773 -1.204 . . . . 0.0 109.457 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.63 99.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.976 -1.077 . . . . 0.0 108.78 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.33 -39.54 81.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.89 -40.67 89.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 0.0 109.603 -178.517 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.98 -40.33 96.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.791 -1.193 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.3 m-85 -69.81 -38.03 76.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.0 109.385 179.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . 0.411 HD21 HE22 ' B' ' 52' ' ' GLN . 56.0 mt -60.11 -41.09 91.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.617 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.46 -40.34 90.84 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.042 -1.036 . . . . 0.0 108.678 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.49 -40.31 90.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 110.441 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.619 ' NE2' HD22 ' A' ' 74' ' ' ASN . 26.8 mt-30 -60.21 -39.98 88.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.604 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.06 78.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.096 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 179.296 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.622 HD22 ' NE2' ' B' ' 52' ' ' GLN . 18.5 t-20 . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 121.507 0.67 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.23 37.46 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.062 -1.023 . . . . 0.0 108.855 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.4 p -82.77 105.44 13.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.38 134.43 35.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.476 0.655 . . . . 0.0 109.413 -178.425 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' C' ' 78' ' ' THR . 15.1 t -92.32 112.68 56.41 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -92.84 -48.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.115 0 C-N-CA 121.627 1.551 . . . . 0.0 114.889 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.55 -45.44 2.31 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.146 -0.971 . . . . 0.0 112.985 -177.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.679 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -60.14 -55.63 31.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.308 -1.495 . . . . 0.0 112.685 -176.059 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.679 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -76.13 -39.88 54.04 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 119.966 -1.709 . . . . 0.0 109.837 -179.206 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -60.52 -45.1 95.08 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.457 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.4 -42.78 96.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 108.339 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 85' ' ' THR . . . . . 0.422 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 56.3 p -67.84 -40.26 83.74 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.376 -0.828 . . . . 0.0 109.296 179.398 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.422 ' N ' ' HG1' ' C' ' 85' ' ' THR . 40.8 t-105 -61.19 -40.21 93.06 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.207 -0.933 . . . . 0.0 108.957 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.58 -42.41 92.42 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.944 -1.097 . . . . 0.0 108.644 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.29 -42.24 95.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.082 . . . . 0.0 108.496 178.1 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.6 t90 -60.32 -48.92 79.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.06 -1.025 . . . . 0.0 109.648 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.71 -40.79 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.293 -0.879 . . . . 0.0 109.645 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -67.28 -39.67 86.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.72 -41.98 96.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.017 -1.073 . . . . 0.0 108.505 178.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.19 -40.62 89.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.367 -0.833 . . . . 0.0 108.993 178.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -61.11 -40.69 94.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.984 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.35 -40.11 81.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.738 -1.226 . . . . 0.0 108.845 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.4 -40.52 95.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.382 -0.824 . . . . 0.0 109.578 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . 0.506 ' OE1' ' NH1' ' C' ' 29' ' ' ARG . 40.0 tt0 -60.15 -49.44 77.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.026 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.74 -40.47 92.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.25 -0.906 . . . . 0.0 109.179 179.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.567 HD22 ' NH2' ' B' ' 23' ' ' ARG . 39.8 t-20 -64.74 -44.21 90.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 110.084 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.15 -41.53 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.129 -0.982 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.9 p -60.98 -40.62 94.14 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.189 -0.945 . . . . 0.0 108.952 179.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.1 78.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.921 . . . . 0.0 109.017 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.24 -44.01 95.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.545 179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.09 -41.6 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.851 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.328 -0.857 . . . . 0.0 109.095 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . 0.434 ' O ' ' OE1' ' C' ' 110' ' ' GLN . 98.7 mt-10 -64.77 -40.43 95.25 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.271 -0.893 . . . . 0.0 109.12 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.24 95.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.232 -0.918 . . . . 0.0 109.996 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.06 -46.54 89.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.0 109.373 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.55 -49.79 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.341 -0.849 . . . . 0.0 109.772 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' C' ' 106' ' ' GLU . 2.0 mp0 -66.81 -40.24 87.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.093 -1.004 . . . . 0.0 109.792 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.93 -48.51 81.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.314 -0.866 . . . . 0.0 109.474 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.45 -41.35 96.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.296 -0.878 . . . . 0.0 109.34 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -62.24 -39.89 94.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.873 . . . . 0.0 109.543 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.998 -1.064 . . . . 0.0 109.416 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.084 -1.01 . . . . 0.0 108.628 179.302 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 4' ' ' ARG . 55.6 mtt-85 -65.38 -39.66 92.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.397 -0.815 . . . . 0.0 109.119 179.071 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -59.91 -42.02 92.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.312 -0.867 . . . . 0.0 109.327 -179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.24 -41.46 98.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 108.736 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.3 -39.37 86.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.332 -0.855 . . . . 0.0 109.679 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.69 89.18 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.048 -1.033 . . . . 0.0 108.832 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.52 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.46 -48.79 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.453 -1.028 . . . . 0.0 109.584 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.05 -47.04 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.152 -0.968 . . . . 0.0 109.406 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.15 -39.58 86.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.185 -0.947 . . . . 0.0 109.31 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -60.04 -41.57 92.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 0.0 109.465 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.002 -1.061 . . . . 0.0 109.366 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.37 -45.43 93.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.105 -0.997 . . . . 0.0 109.032 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.29 -43.73 96.01 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -0.987 . . . . 0.0 109.781 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.84 -42.59 99.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 179.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.74 -41.47 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.845 . . . . 0.0 108.919 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 19' ' ' ASP . 50.9 t0 -60.21 -48.78 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.792 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.34 -40.12 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.0 109.596 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -41.81 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 108.571 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.5 -40.15 95.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.586 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.2 mmt180 -61.11 -40.74 94.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.6 -39.99 90.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.557 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.92 -49.65 76.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.122 -0.986 . . . . 0.0 109.651 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.85 -40.7 98.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.083 . . . . 0.0 109.227 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.56 -40.6 97.35 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.354 -0.842 . . . . 0.0 108.875 179.211 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 31' ' ' THR . 22.4 mt -60.86 -39.97 91.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.431 -0.793 . . . . 0.0 109.59 179.628 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.24 -40.22 89.47 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.988 -1.07 . . . . 0.0 109.267 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.7 mt -61.59 -40.04 93.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.377 -0.827 . . . . 0.0 109.56 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 81.4 p -63.32 -40.03 96.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.066 -1.021 . . . . 0.0 109.709 -179.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.66 -40.99 86.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.415 -0.803 . . . . 0.0 109.18 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.03 -41.28 91.89 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 110.04 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -49.94 73.05 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -60.02 -49.0 79.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.071 -1.252 . . . . 0.0 109.867 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.18 -39.87 88.02 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -0.87 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.656 HD22 ' NH2' ' A' ' 41' ' ' ARG . 56.1 t-20 -60.03 -39.91 87.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.267 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.38 -39.96 89.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 0.0 109.508 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.11 -39.94 87.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.066 -1.021 . . . . 0.0 109.303 -179.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.7 p -60.1 -40.71 90.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.693 -1.255 . . . . 0.0 108.435 179.234 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.656 ' NH2' HD22 ' A' ' 37' ' ' ASN . 26.1 mtt-85 -63.7 -40.29 96.42 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.8 -41.08 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.648 -0.658 . . . . 0.0 109.415 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 40' ' ' THR . 66.1 p -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.909 -1.119 . . . . 0.0 109.618 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.02 78.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.809 -1.182 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 45' ' ' ILE . 85.7 mt -61.03 -40.02 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.878 . . . . 0.0 111.241 -178.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.06 -38.56 88.62 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.373 -1.454 . . . . 0.0 108.865 179.646 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.76 -49.06 79.21 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.362 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.569 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 36.9 m-85 -61.12 -40.04 92.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.006 -1.059 . . . . 0.0 109.727 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -39.89 87.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.92 -39.11 84.34 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.773 -1.205 . . . . 0.0 108.002 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.72 -39.58 85.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.501 -0.749 . . . . 0.0 109.406 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' NE2' ' OD1' ' B' ' 74' ' ' ASN . 2.8 mp0 -59.83 -39.79 86.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.782 -1.199 . . . . 0.0 108.995 179.195 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.87 76.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.873 -1.142 . . . . 0.0 108.016 179.275 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 108.914 179.152 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.578 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 58.4 t-20 . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 121.871 0.843 . . . . 0.0 109.023 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.43 8.34 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.326 -0.859 . . . . 0.0 108.835 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -81.54 108.05 14.8 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.95 134.56 35.73 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.409 0.623 . . . . 0.0 109.35 -178.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.6 t -90.85 114.19 60.57 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 0.0 109.25 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.45 -46.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.844 1.696 . . . . 0.0 113.815 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 82.9 tttt -121.51 -45.47 2.31 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.265 -0.897 . . . . 0.0 113.354 -176.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.0 p90 -61.45 -45.25 95.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.389 -1.444 . . . . 0.0 113.751 -175.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.7 t30 -77.6 -49.18 15.12 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.697 -1.877 . . . . 0.0 111.174 -178.639 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.7 p-10 -60.06 -49.73 76.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.954 -1.091 . . . . 0.0 110.313 -178.452 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.92 -45.0 96.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.74 -1.225 . . . . 0.0 109.597 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -68.62 -40.08 80.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.243 -0.91 . . . . 0.0 109.717 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.14 -40.1 93.95 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.053 -1.03 . . . . 0.0 109.503 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.13 -40.04 88.36 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.55 -1.344 . . . . 0.0 108.438 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.418 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.1 t90 -60.03 -48.14 82.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.486 -0.758 . . . . 0.0 109.46 178.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.86 -39.99 95.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.093 -1.004 . . . . 0.0 109.378 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -62.21 -42.66 99.5 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.584 -0.698 . . . . 0.0 110.21 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.07 -43.03 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.798 -1.189 . . . . 0.0 109.281 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.92 -42.22 91.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.5 179.54 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -61.17 -40.3 93.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.22 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -68.9 -39.99 79.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.667 -1.27 . . . . 0.0 109.608 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.111 -0.993 . . . . 0.0 108.82 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.51 -48.24 82.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.56 -0.712 . . . . 0.0 109.816 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 101' ' ' THR . 87.0 tt0 -60.32 -44.28 95.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.407 -179.583 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.596 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.52 -45.0 95.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.14 -42.89 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 109.555 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.455 ' HG1' ' N ' ' A' ' 102' ' ' ALA . 44.8 p -60.31 -44.39 95.49 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.046 179.801 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.455 ' N ' ' HG1' ' A' ' 101' ' ' THR . . . -60.98 -48.72 80.51 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -44.51 94.71 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.6 -42.82 97.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.99 -49.21 78.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.78 -40.94 96.94 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.319 -0.863 . . . . 0.0 109.708 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.2 93.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.224 -0.922 . . . . 0.0 109.617 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.12 -44.09 97.39 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.347 179.511 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.98 -50.06 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.209 -0.932 . . . . 0.0 109.849 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -68.56 -40.25 80.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.733 -1.229 . . . . 0.0 110.046 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.08 -45.59 92.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 109.681 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.42 -40.19 77.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.186 -0.946 . . . . 0.0 109.551 -179.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.0 -40.15 90.91 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -0.904 . . . . 0.0 109.942 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -43.91 97.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.127 -0.983 . . . . 0.0 109.981 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.303 -1.414 0 O-C-N 121.164 -0.96 . . . . 0.0 108.909 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' B' ' 4' ' ' ARG . 55.6 mtt-85 -65.42 -39.33 91.99 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.395 -0.816 . . . . 0.0 109.044 179.072 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.2 t -59.91 -42.08 93.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.295 -0.878 . . . . 0.0 109.281 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.02 -41.66 98.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 108.795 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.07 -39.64 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.81 88.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.061 -1.024 . . . . 0.0 108.923 -179.215 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.98 80.01 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.15 -49.03 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.42 -1.047 . . . . 0.0 109.407 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.04 -46.96 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.031 -1.043 . . . . 0.0 109.464 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.205 -0.934 . . . . 0.0 109.132 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -59.91 -42.15 93.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.459 -0.775 . . . . 0.0 109.418 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.33 -42.14 95.02 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.103 -0.998 . . . . 0.0 109.427 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.18 -44.62 94.92 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.905 . . . . 0.0 109.215 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.2 -42.92 99.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.4 -42.58 99.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.047 -1.033 . . . . 0.0 109.228 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.46 -41.84 94.96 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 108.895 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.96 -48.68 80.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.42 -0.8 . . . . 0.0 109.717 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.38 -40.36 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 109.79 -179.505 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -41.61 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 0.0 108.498 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.51 -40.25 96.14 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.578 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.2 mmt180 -61.15 -40.99 95.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -40.09 89.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.513 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.92 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 0.0 109.456 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -41.93 98.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.87 -1.144 . . . . 0.0 109.247 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.7 -40.73 96.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.381 -0.824 . . . . 0.0 108.931 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' B' ' 31' ' ' THR . 22.3 mt -60.57 -39.95 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.319 -0.863 . . . . 0.0 109.663 179.443 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.67 -40.03 90.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.968 -1.082 . . . . 0.0 109.334 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.405 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.8 mt -61.8 -40.28 94.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 0.0 109.655 -179.85 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 79.8 p -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.063 -1.023 . . . . 0.0 109.788 -179.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.62 -40.7 85.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.293 -0.88 . . . . 0.0 109.22 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -60.3 -41.3 93.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 0.0 109.935 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -49.62 76.54 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.14 -49.15 78.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.036 -1.273 . . . . 0.0 109.758 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -59.97 -39.95 87.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.92 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.635 HD22 ' NH2' ' B' ' 41' ' ' ARG . 57.6 t-20 -59.92 -40.17 87.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 109.307 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.505 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.0 -39.9 87.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 -179.222 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.422 ' O ' ' OG1' ' B' ' 43' ' ' THR . 73.0 p -60.29 -40.44 90.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.219 . . . . 0.0 108.368 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.635 ' NH2' HD22 ' B' ' 37' ' ' ASN . 25.7 mtt-85 -64.25 -40.05 95.21 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.8 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.55 -41.52 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.568 -0.708 . . . . 0.0 109.391 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' B' ' 40' ' ' THR . 61.6 p -60.12 -40.04 88.33 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.723 -179.473 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.89 77.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.784 -1.198 . . . . 0.0 109.219 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.402 HD11 HG22 ' B' ' 45' ' ' ILE . 84.7 mt -60.68 -40.34 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.454 -0.779 . . . . 0.0 111.256 -179.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.84 -38.61 89.34 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.419 -1.426 . . . . 0.0 108.905 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.12 -48.76 80.38 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.248 -0.907 . . . . 0.0 109.239 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.569 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 37.3 m-85 -61.18 -40.12 92.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 109.674 179.273 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.85 -40.04 87.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -59.91 -39.33 85.06 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.802 -1.186 . . . . 0.0 107.992 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.26 -39.77 83.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.58 ' NE2' ' OD1' ' C' ' 74' ' ' ASN . 2.8 mp0 -59.81 -39.62 85.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.723 -1.236 . . . . 0.0 108.935 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.69 76.07 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.883 -1.135 . . . . 0.0 108.147 179.147 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 108.785 179.43 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.584 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 58.5 t-20 . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.937 0.875 . . . . 0.0 108.948 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.42 8.34 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.299 -0.876 . . . . 0.0 108.831 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.73 107.92 14.85 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.22 134.38 35.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.359 0.6 . . . . 0.0 109.386 -178.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -90.98 114.12 60.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 0.0 109.185 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -93.13 -46.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.885 1.723 . . . . 0.0 113.884 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . 0.437 ' O ' ' OD1' ' B' ' 83' ' ' ASN . 82.8 tttt -121.19 -45.81 2.33 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.156 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.86 -45.61 93.87 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.427 -1.421 . . . . 0.0 113.759 -175.734 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 58.9 t30 -77.33 -49.25 15.36 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 119.808 -1.808 . . . . 0.0 111.263 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 80' ' ' LYS . 18.8 p-10 -59.9 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.86 -1.15 . . . . 0.0 110.346 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.57 -45.09 95.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.729 -1.232 . . . . 0.0 109.818 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 64.7 p -68.77 -39.96 79.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.33 -39.92 93.04 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.722 -1.236 . . . . 0.0 108.553 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.42 -40.24 95.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.423 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 63.9 t90 -60.35 -48.56 81.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.508 -0.745 . . . . 0.0 109.308 179.2 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.37 -40.3 96.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.081 -1.012 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.93 -42.68 99.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 0.0 110.183 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.17 -42.43 94.96 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 109.269 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.31 -42.14 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.434 -0.791 . . . . 0.0 109.5 179.401 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.58 -40.15 93.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.322 -0.861 . . . . 0.0 111.174 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -68.8 -40.03 79.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.723 -1.236 . . . . 0.0 109.474 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.18 -40.46 86.58 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.007 -1.058 . . . . 0.0 108.727 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.06 -48.61 81.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.481 -0.762 . . . . 0.0 109.731 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 101' ' ' THR . 87.2 tt0 -59.95 -44.55 94.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.184 -0.947 . . . . 0.0 109.658 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.38 -44.94 95.16 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.172 -0.955 . . . . 0.0 109.636 -179.73 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.13 -42.79 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.661 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 101' ' ' THR . . . . . 0.436 ' HG1' ' N ' ' B' ' 102' ' ' ALA . 43.9 p -60.33 -44.36 95.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.053 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.436 ' N ' ' HG1' ' B' ' 101' ' ' THR . . . -60.86 -48.71 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.393 -0.817 . . . . 0.0 109.399 179.329 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.42 -44.58 95.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.749 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.54 -42.65 96.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.048 -1.033 . . . . 0.0 109.594 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.42 -48.79 80.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 -179.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.98 -41.01 97.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.5 -0.75 . . . . 0.0 109.904 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.878 . . . . 0.0 109.656 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.13 -43.91 97.79 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.005 -1.06 . . . . 0.0 109.39 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.02 -50.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.354 -0.841 . . . . 0.0 109.672 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.03 -39.99 78.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 110.045 -179.591 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -60.0 -45.47 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 109.714 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.54 -40.21 77.0 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.316 -0.865 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.0 -40.1 90.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 109.937 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.49 -43.97 97.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.064 . . . . 0.0 109.882 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.304 -1.381 0 O-C-N 121.168 -0.957 . . . . 0.0 108.967 179.934 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.312 0.577 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' C' ' 4' ' ' ARG . 55.2 mtt-85 -65.59 -39.7 91.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.891 179.134 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.928 . . . . 0.0 109.278 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.63 -41.65 97.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 108.815 179.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.08 -39.59 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 109.809 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.7 88.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.158 -0.964 . . . . 0.0 108.855 -179.425 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.68 -47.07 80.14 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.03 -49.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.408 -1.054 . . . . 0.0 109.463 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.99 -1.069 . . . . 0.0 109.288 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.16 -39.8 87.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.157 -0.965 . . . . 0.0 109.297 178.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.94 -41.19 91.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.401 -179.026 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -61.44 -42.17 98.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.11 -0.994 . . . . 0.0 109.38 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.24 -44.02 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.228 -0.92 . . . . 0.0 109.095 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.94 -41.97 98.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.926 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -41.75 98.8 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.035 -1.041 . . . . 0.0 109.287 179.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.13 -41.45 96.75 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.28 -0.887 . . . . 0.0 108.883 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.07 -49.24 78.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 109.692 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.14 -40.15 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.159 -0.963 . . . . 0.0 109.685 -179.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -42.03 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.075 -1.015 . . . . 0.0 108.363 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.15 -40.24 95.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.484 -0.76 . . . . 0.0 109.221 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.596 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.92 -41.04 95.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.523 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.23 -40.1 89.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.187 -0.946 . . . . 0.0 109.64 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.05 -49.64 76.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 109.419 -179.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.75 -41.01 98.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.46 -40.27 96.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.939 179.312 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' C' ' 31' ' ' THR . 22.7 mt -60.79 -40.21 91.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.336 -0.852 . . . . 0.0 109.506 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.55 -40.02 90.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.418 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.0 mt -61.55 -39.98 93.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 0.0 109.615 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 79.9 p -63.46 -40.01 95.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.996 . . . . 0.0 109.681 -179.742 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.31 -41.01 85.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -60.34 -40.92 92.38 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.413 -0.804 . . . . 0.0 109.97 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -49.79 74.7 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.09 -48.71 80.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.947 -1.325 . . . . 0.0 109.919 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.21 -40.1 88.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.863 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.64 HD22 ' NH2' ' C' ' 41' ' ' ARG . 56.0 t-20 -59.88 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.308 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.3 -40.01 89.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.067 -1.021 . . . . 0.0 109.5 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.77 -40.34 87.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.041 -1.037 . . . . 0.0 109.13 -179.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' C' ' 43' ' ' THR . 71.6 p -60.08 -40.37 89.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.735 -1.228 . . . . 0.0 108.458 179.299 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.64 ' NH2' HD22 ' C' ' 37' ' ' ASN . 26.5 mtt-85 -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.696 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.55 -41.24 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.647 -0.658 . . . . 0.0 109.41 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' C' ' 40' ' ' THR . 60.5 p -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.946 -1.096 . . . . 0.0 109.56 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.902 -1.124 . . . . 0.0 109.203 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.412 HD11 HG22 ' C' ' 45' ' ' ILE . 83.0 mt -60.88 -40.23 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 111.085 -178.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.04 -38.26 87.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.358 -1.464 . . . . 0.0 108.889 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -59.97 -49.06 79.17 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.578 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 37.5 m-85 -61.18 -39.98 92.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 109.653 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.97 -39.93 87.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.143 -0.973 . . . . 0.0 109.58 -179.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.794 -1.191 . . . . 0.0 108.039 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -39.69 85.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.0 109.369 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.578 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 2.8 mp0 -59.74 -39.69 85.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.685 -1.259 . . . . 0.0 108.946 179.591 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.87 76.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.937 179.305 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' B' ' 52' ' ' GLN . 58.6 t-20 . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.971 0.891 . . . . 0.0 109.039 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.72 123.53 8.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.344 -0.847 . . . . 0.0 108.915 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -81.77 107.62 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.99 134.56 35.71 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.165 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -90.71 114.03 59.92 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.388 -0.82 . . . . 0.0 109.225 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -93.33 -46.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.036 0 C-N-CA 121.816 1.677 . . . . 0.0 113.663 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' C' ' 83' ' ' ASN . 82.7 tttt -121.55 -45.33 2.31 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.035 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -61.47 -45.34 94.67 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.432 -1.417 . . . . 0.0 113.774 -175.585 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.629 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.6 t30 -77.54 -48.85 15.97 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 119.854 -1.778 . . . . 0.0 111.366 -178.579 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' C' ' 80' ' ' LYS . 18.0 p-10 -60.08 -50.03 75.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.071 . . . . 0.0 110.122 -178.576 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.26 -46.05 91.15 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.772 -1.205 . . . . 0.0 109.838 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 64.5 p -67.9 -39.98 83.54 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 109.753 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -65.56 -39.81 92.1 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.492 -179.578 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.05 -40.11 88.28 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.662 -1.274 . . . . 0.0 108.445 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.93 -40.37 97.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.405 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.4 t90 -59.96 -47.72 84.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.495 -0.753 . . . . 0.0 109.465 178.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.134 -0.978 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -62.13 -42.64 99.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.553 -0.717 . . . . 0.0 110.158 -179.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.12 -43.01 95.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 0.0 109.272 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.77 -42.42 92.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.382 -0.823 . . . . 0.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.06 -40.39 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.0 111.153 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.808 -1.182 . . . . 0.0 109.592 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.34 -40.2 85.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.147 -0.971 . . . . 0.0 108.85 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.21 -48.67 80.75 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.431 -0.793 . . . . 0.0 109.616 179.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' C' ' 101' ' ' THR . 87.4 tt0 -60.09 -44.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 109.629 -179.461 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.7 t-20 -60.05 -44.79 94.44 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.182 -0.949 . . . . 0.0 109.817 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.45 -42.84 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 109.521 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 101' ' ' THR . . . . . 0.438 ' HG1' ' N ' ' C' ' 102' ' ' ALA . 44.5 p -60.18 -43.93 95.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.154 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . 0.438 ' N ' ' HG1' ' C' ' 101' ' ' THR . . . -61.55 -48.76 79.55 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.369 -0.832 . . . . 0.0 109.42 179.43 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.2 -44.65 94.95 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.369 -0.832 . . . . 0.0 109.827 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.48 -42.85 97.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.965 . . . . 0.0 109.565 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.07 -49.0 79.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.97 -40.83 96.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.857 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.54 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 0.0 109.597 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.985 -1.072 . . . . 0.0 109.393 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.36 -50.05 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.21 -0.931 . . . . 0.0 109.688 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.87 -40.1 79.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.912 -1.118 . . . . 0.0 110.124 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.08 -45.52 92.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 109.659 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.62 -40.03 76.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.02 -40.1 90.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.133 -0.979 . . . . 0.0 109.897 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.39 -43.69 98.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.992 -1.067 . . . . 0.0 109.992 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.951 . . . . 0.0 108.9 179.831 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -61.97 -39.97 93.99 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 15.2 t -60.35 -42.5 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.282 -0.887 . . . . 0.0 108.88 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' A' ' 5' ' ' THR . 58.9 tp -60.05 -43.51 95.32 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.42 -39.9 95.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.614 -0.679 . . . . 0.0 109.203 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.04 91.5 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.862 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.88 -44.71 67.25 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 10' ' ' ILE . 96.8 mt -60.06 -49.95 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.091 . . . . 0.0 109.34 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -59.98 -47.51 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.11 -0.994 . . . . 0.0 109.198 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 109.14 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.01 -43.57 95.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.451 -0.781 . . . . 0.0 109.224 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.4 -41.4 93.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.24 -42.75 95.95 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.257 -0.902 . . . . 0.0 108.967 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.1 -40.87 95.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.536 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.17 -44.08 97.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.983 . . . . 0.0 109.035 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.69 -42.58 97.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.329 -0.857 . . . . 0.0 109.118 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.1 t0 -60.05 -47.22 86.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.381 -0.824 . . . . 0.0 109.96 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.0 -40.01 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.033 . . . . 0.0 109.445 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.96 -40.75 83.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.9 -40.56 95.87 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.68 -0.637 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.9 mpt_? -59.98 -42.83 95.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.143 -0.973 . . . . 0.0 108.885 179.653 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.192 -0.943 . . . . 0.0 109.109 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -59.96 -45.57 92.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.372 -0.83 . . . . 0.0 109.666 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.64 -41.41 83.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.552 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.126 -0.983 . . . . 0.0 109.339 179.48 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.94 -40.52 89.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.726 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.0 -39.94 91.63 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.078 -1.014 . . . . 0.0 109.361 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.5 -40.12 95.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -61.98 -39.95 93.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.013 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.99 -40.0 84.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.299 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -60.07 -47.94 83.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.35 -0.843 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.9 88.74 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.346 -179.081 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -59.96 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.964 -1.315 . . . . 0.0 109.353 -179.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -61.35 -39.94 92.44 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.316 -0.865 . . . . 0.0 109.035 179.043 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.533 HD22 HD22 ' B' ' 82' ' ' ASN . 43.8 t-20 -60.02 -40.01 87.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.452 -0.78 . . . . 0.0 109.505 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.95 -40.03 87.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 108.486 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 109.135 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 71.5 p -60.02 -41.54 92.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.803 -1.186 . . . . 0.0 108.731 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.618 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 49.9 mtt-85 -61.91 -40.1 94.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.026 -1.047 . . . . 0.0 108.378 178.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.06 -42.6 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.618 -0.676 . . . . 0.0 110.035 -179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -59.96 -40.08 87.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.886 -1.134 . . . . 0.0 110.115 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.48 98.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.873 -1.142 . . . . 0.0 108.082 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.52 -39.77 82.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.845 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.05 -40.25 88.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.087 -1.008 . . . . 0.0 109.043 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.75 -42.33 99.62 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 109.708 179.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.0 m-85 -69.43 -38.07 77.71 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.21 -0.931 . . . . 0.0 109.616 179.747 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD21 HE22 ' C' ' 52' ' ' GLN . 49.5 mt -59.97 -39.96 87.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.922 -1.111 . . . . 0.0 109.239 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.76 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.926 -1.109 . . . . 0.0 108.708 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.99 -39.96 87.52 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.063 -1.023 . . . . 0.0 109.054 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.434 HE22 HD21 ' B' ' 49' ' ' LEU . 37.3 mt-30 -60.7 -39.95 90.42 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.012 -1.055 . . . . 0.0 109.331 179.143 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.23 -32.6 64.6 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.953 -1.092 . . . . 0.0 108.262 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.549 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.143 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 125.82 35.32 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -82.1 108.91 15.94 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.8 mt -82.15 137.1 35.04 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.321 0.581 . . . . 0.0 109.866 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 78' ' ' THR . 15.3 t -90.85 112.84 55.62 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.429 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -94.7 -47.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.997 0 C-N-CA 121.624 1.549 . . . . 0.0 114.609 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -119.93 -46.29 2.44 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.215 -0.928 . . . . 0.0 113.025 -176.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.7 p90 -59.98 -56.36 22.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.335 -1.478 . . . . 0.0 112.536 -176.286 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 20.2 t-20 -76.17 -38.02 57.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.142 -1.598 . . . . 0.0 109.966 -179.156 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.9 -44.24 94.36 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 -179.187 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.03 -45.87 91.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.983 . . . . 0.0 108.433 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -67.39 -40.08 85.65 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.462 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -62.32 -40.06 95.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.008 . . . . 0.0 109.579 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.29 91.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.639 -1.288 . . . . 0.0 108.312 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.07 -39.99 91.99 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.414 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 54.8 t90 -60.0 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.452 -0.78 . . . . 0.0 109.144 179.469 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.59 -40.79 97.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.128 -0.982 . . . . 0.0 109.375 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -63.19 -41.91 99.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 110.503 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.06 -43.67 98.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.75 -1.219 . . . . 0.0 109.601 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.14 -40.95 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.044 -1.035 . . . . 0.0 109.545 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.74 -40.07 91.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.135 -0.978 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.71 -40.01 80.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.622 -1.299 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.939 . . . . 0.0 109.64 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.27 -40.33 95.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.047 -1.033 . . . . 0.0 110.274 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.15 -39.98 78.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.03 -1.043 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.84 -40.99 96.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.377 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.918 . . . . 0.0 110.04 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.48 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.111 -0.993 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.34 -40.42 93.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.232 -0.917 . . . . 0.0 109.565 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.56 -40.65 97.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 0.0 109.163 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.98 -48.56 81.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.92 . . . . 0.0 109.242 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.42 -41.43 97.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 109.208 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.09 83.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.0 109.541 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.06 -45.06 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.689 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.35 -45.14 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.984 . . . . 0.0 109.219 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.67 -39.96 76.69 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.404 -0.81 . . . . 0.0 109.991 -179.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.06 -50.0 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.062 -1.024 . . . . 0.0 109.778 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.54 -42.53 96.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.22 -42.12 98.05 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.254 -0.904 . . . . 0.0 109.746 -179.486 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.48 -44.76 93.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.396 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.5 ttp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.449 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.539 0.685 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.03 -40.03 94.32 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.4 t -60.35 -42.45 95.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.295 -0.878 . . . . 0.0 108.81 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' B' ' 5' ' ' THR . 58.8 tp -60.01 -43.81 94.99 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.471 -0.768 . . . . 0.0 109.311 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.34 91.98 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -44.82 70.06 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 10' ' ' ILE . 96.9 mt -59.94 -50.01 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.401 -1.058 . . . . 0.0 109.324 179.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -47.14 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.007 -1.058 . . . . 0.0 109.217 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.83 -40.01 96.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.959 . . . . 0.0 109.171 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -43.45 95.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.409 -0.807 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.43 -41.46 94.05 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.952 -1.092 . . . . 0.0 109.414 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.198 -0.938 . . . . 0.0 109.109 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.45 -40.42 93.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.4 -44.18 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 109.148 179.137 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.61 -42.64 97.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.473 -0.767 . . . . 0.0 109.131 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.494 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 53.4 t0 -60.02 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.426 -0.797 . . . . 0.0 109.863 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.97 -39.99 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.083 -1.01 . . . . 0.0 109.433 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 108.733 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.8 -40.2 94.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.6 -0.688 . . . . 0.0 109.548 179.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.494 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.9 mpt_? -60.42 -42.65 96.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.06 -1.025 . . . . 0.0 108.984 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.21 -40.01 88.6 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.014 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -60.02 -45.67 92.01 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.54 -41.12 84.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.95 -40.89 99.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.298 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.02 -40.56 89.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.439 -0.788 . . . . 0.0 109.565 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.95 -40.08 91.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.029 -1.044 . . . . 0.0 109.265 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.33 -40.09 95.2 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.206 -0.934 . . . . 0.0 109.698 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -61.89 -40.0 93.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.92 -40.13 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.426 -0.796 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -60.0 -47.9 83.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.459 -179.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.82 89.12 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.403 -179.2 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.976 -1.308 . . . . 0.0 109.381 -179.225 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.4 -40.04 92.93 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.271 -0.893 . . . . 0.0 108.992 179.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.564 HD22 HD22 ' C' ' 82' ' ' ASN . 43.8 t-20 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.442 -0.786 . . . . 0.0 109.503 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.03 -39.91 87.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.913 -1.117 . . . . 0.0 108.445 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.218 -0.926 . . . . 0.0 109.112 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 70.6 p -60.1 -41.01 91.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.824 -1.173 . . . . 0.0 108.709 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.602 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 48.7 mtt-85 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.689 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.83 -42.79 93.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.654 -0.654 . . . . 0.0 109.936 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.888 -1.132 . . . . 0.0 110.197 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.137 . . . . 0.0 108.117 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.28 -39.81 81.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 CA-C-O 121.183 0.516 . . . . 0.0 109.816 179.158 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.02 -40.88 90.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.088 -1.008 . . . . 0.0 108.87 -178.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.09 -42.6 99.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.393 -0.817 . . . . 0.0 109.621 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.7 m-85 -69.22 -38.08 78.35 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.0 109.761 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.434 HD21 HE22 ' A' ' 52' ' ' GLN . 50.7 mt -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.914 -1.116 . . . . 0.0 109.106 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.51 -39.97 95.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.805 -1.185 . . . . 0.0 108.658 178.591 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.09 -40.11 88.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.057 -1.027 . . . . 0.0 108.996 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.413 HE22 HD21 ' C' ' 49' ' ' LEU . 37.7 mt-30 -60.38 -39.94 89.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 109.467 179.109 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.52 64.5 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.831 -1.168 . . . . 0.0 108.293 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.557 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.53 125.54 35.24 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.93 108.95 15.85 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.046 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.07 136.98 35.14 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.996 -178.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' B' ' 78' ' ' THR . 15.2 t -90.58 112.71 54.62 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.315 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -94.57 -46.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 121.671 1.58 . . . . 0.0 114.728 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -120.17 -46.34 2.42 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.184 -0.947 . . . . 0.0 113.032 -176.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.8 p90 -60.01 -56.49 21.04 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.408 -1.432 . . . . 0.0 112.526 -176.298 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 20.1 t-20 -75.91 -38.25 57.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.104 -1.622 . . . . 0.0 110.0 -179.227 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -60.02 -43.95 94.94 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.193 -0.942 . . . . 0.0 109.063 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -45.97 90.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 108.45 178.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 75.1 p -67.26 -40.03 86.18 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.378 -0.826 . . . . 0.0 109.059 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.416 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.8 t-105 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.96 -40.98 90.92 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.563 -1.336 . . . . 0.0 108.445 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.34 -40.01 92.68 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.416 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.9 t90 -59.99 -48.39 81.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.62 -40.37 96.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.173 -0.955 . . . . 0.0 109.595 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -63.64 -41.9 98.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 110.312 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.69 -43.77 97.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.879 -1.138 . . . . 0.0 109.857 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -40.71 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.8 -40.0 91.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.077 -1.014 . . . . 0.0 111.148 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -68.98 -40.04 79.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.617 -1.302 . . . . 0.0 109.655 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.72 -40.18 94.89 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.162 -0.961 . . . . 0.0 109.646 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.97 -40.99 97.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.167 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -68.68 -39.95 80.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.997 -1.064 . . . . 0.0 109.493 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.98 -40.6 95.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.275 -0.891 . . . . 0.0 109.332 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.76 -46.53 96.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.203 -0.936 . . . . 0.0 109.245 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.9 p -59.99 -42.13 93.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.126 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.39 -40.32 93.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.207 -0.933 . . . . 0.0 109.666 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -40.85 97.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.086 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.0 -48.4 81.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.106 -0.996 . . . . 0.0 109.243 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.1 -41.86 97.45 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.013 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.17 83.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.338 -0.851 . . . . 0.0 109.623 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.1 -44.99 94.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.963 . . . . 0.0 109.619 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.07 -45.4 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.008 -1.058 . . . . 0.0 109.297 179.65 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -69.6 -40.0 76.91 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.358 -0.839 . . . . 0.0 110.105 -179.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -50.05 75.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.056 -1.028 . . . . 0.0 109.728 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -42.5 95.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 109.474 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -61.54 -41.68 97.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.281 -0.887 . . . . 0.0 109.662 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.84 -44.84 91.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.096 -1.002 . . . . 0.0 109.246 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 108.816 179.488 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.25 -40.04 94.86 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.479 -0.763 . . . . 0.0 108.952 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.17 -42.64 95.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 108.857 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.1 tp -59.95 -43.58 94.94 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.31 -39.97 96.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.499 -0.75 . . . . 0.0 109.183 178.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.24 91.96 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.226 -0.921 . . . . 0.0 108.794 -179.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.8 -44.47 69.35 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -49.97 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 0.0 109.473 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.13 -47.19 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.253 -0.905 . . . . 0.0 109.212 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.82 -40.07 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 109.065 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.9 -43.71 94.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.361 -0.837 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.26 -41.49 93.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.972 -1.08 . . . . 0.0 109.492 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.11 -42.6 95.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.071 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.35 -40.78 94.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.444 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.13 -44.33 97.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.02 -1.05 . . . . 0.0 109.131 179.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.25 -42.71 95.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.361 -0.837 . . . . 0.0 109.174 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . 0.482 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.0 t0 -59.96 -47.24 86.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 110.003 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.93 -40.05 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.85 -40.26 94.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.606 -0.684 . . . . 0.0 109.586 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.482 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.9 mpt_? -60.38 -42.77 96.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 108.909 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 0.0 108.991 179.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -60.05 -45.67 92.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.59 -41.15 84.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.0 -40.72 98.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.34 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.04 -40.75 90.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 109.585 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.72 -39.95 90.52 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.966 -1.084 . . . . 0.0 109.408 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.43 -40.25 95.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.62 -179.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -61.73 -40.0 93.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.058 -1.026 . . . . 0.0 109.484 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.01 -40.06 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.421 -0.799 . . . . 0.0 109.311 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -59.97 -48.07 83.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.886 . . . . 0.0 110.448 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -47.76 89.42 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.409 -179.186 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.925 -1.338 . . . . 0.0 109.343 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.3 -39.99 92.49 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.286 -0.884 . . . . 0.0 109.1 179.101 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.552 HD22 HD22 ' A' ' 82' ' ' ASN . 44.1 t-20 -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.99 -40.07 87.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.838 -1.164 . . . . 0.0 108.388 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -40.05 87.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.257 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 71.8 p -60.12 -41.14 91.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.69 -1.256 . . . . 0.0 108.822 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.621 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 49.6 mtt-85 -62.4 -39.94 94.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 0.0 108.314 178.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.08 -42.74 94.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.65 -0.656 . . . . 0.0 109.909 -179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.88 -1.138 . . . . 0.0 110.058 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.47 98.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.163 . . . . 0.0 108.086 179.062 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.43 -39.69 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.881 -0.512 . . . . 0.0 109.869 179.23 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.97 -40.36 88.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.158 -0.964 . . . . 0.0 109.122 -178.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.63 -42.49 99.62 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 109.684 179.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.7 m-85 -69.18 -38.21 78.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.31 -0.869 . . . . 0.0 109.691 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . 0.413 HD21 HE22 ' B' ' 52' ' ' GLN . 50.0 mt -60.0 -40.05 87.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.978 -1.076 . . . . 0.0 109.176 179.728 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -63.44 -40.0 95.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.121 . . . . 0.0 108.759 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 0.0 109.097 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.409 HE22 HD21 ' A' ' 49' ' ' LEU . 37.7 mt-30 -60.56 -39.92 89.73 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.897 -1.127 . . . . 0.0 109.3 179.117 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.32 -32.45 64.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.968 -1.082 . . . . 0.0 108.233 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.594 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.066 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.58 125.67 35.31 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.88 108.97 15.82 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.1 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.5 mt -82.21 136.85 35.03 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.374 0.607 . . . . 0.0 109.947 -178.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' C' ' 78' ' ' THR . 15.2 t -90.58 112.75 54.83 Favored Pre-proline 0 N--CA 1.494 1.768 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -94.68 -47.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 121.65 1.567 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -119.97 -46.43 2.43 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.253 -0.904 . . . . 0.0 112.99 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -60.04 -56.22 24.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.339 -1.476 . . . . 0.0 112.502 -176.264 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.682 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 20.9 t-20 -76.33 -37.83 56.8 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.077 -1.64 . . . . 0.0 109.856 -179.021 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -59.98 -44.23 94.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.222 -0.924 . . . . 0.0 109.085 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -46.0 90.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.102 -0.999 . . . . 0.0 108.503 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.7 p -67.25 -40.02 86.2 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.0 108.981 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 38.1 t-105 -62.65 -39.92 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.091 -1.005 . . . . 0.0 109.561 -179.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.12 -40.64 90.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.587 -1.32 . . . . 0.0 108.447 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.68 -39.85 92.9 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.414 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 54.5 t90 -60.1 -48.62 80.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -41.05 98.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.037 -1.039 . . . . 0.0 109.567 179.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -63.1 -41.83 99.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 110.539 -179.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.92 -43.49 98.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.866 -1.146 . . . . 0.0 109.743 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.61 -40.54 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.01 -40.02 91.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.147 -0.97 . . . . 0.0 111.162 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.96 -39.97 79.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.638 -1.289 . . . . 0.0 109.59 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.13 -0.981 . . . . 0.0 109.657 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.98 -40.43 96.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 110.201 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.985 -1.072 . . . . 0.0 109.479 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.83 -40.83 95.83 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.206 -0.934 . . . . 0.0 109.328 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.56 -46.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.25 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.1 p -60.03 -42.34 94.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.218 -0.926 . . . . 0.0 109.972 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.45 96.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.058 -1.026 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.27 -40.43 93.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.222 -0.924 . . . . 0.0 109.63 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.56 -40.79 97.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.068 -1.02 . . . . 0.0 109.222 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.02 -48.14 82.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.156 -0.965 . . . . 0.0 109.302 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.6 -41.55 97.61 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.178 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.2 83.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.557 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -59.94 -45.23 93.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.16 -45.44 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 109.207 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -69.44 -39.98 77.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.17 -49.96 75.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.994 -1.066 . . . . 0.0 109.783 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.17 -42.93 96.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.05 -41.85 97.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.286 -0.884 . . . . 0.0 109.799 -179.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -63.67 -44.85 92.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.98 -1.075 . . . . 0.0 109.259 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.487 1.414 0 O-C-N 121.348 -0.845 . . . . 0.0 108.729 179.453 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -62.64 -39.98 95.56 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 108.753 179.421 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.414 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 13.5 t -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.425 -0.797 . . . . 0.0 109.74 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' A' ' 5' ' ' THR . 58.6 tp -59.98 -45.83 91.44 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.394 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.55 -40.02 93.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.17 88.15 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.84 63.89 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.95 -47.66 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -1.081 . . . . 0.0 109.317 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.0 108.916 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.72 -39.96 90.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 109.892 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.05 -40.96 91.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.084 -1.01 . . . . 0.0 109.103 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.62 -40.06 90.5 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.141 -0.974 . . . . 0.0 109.04 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.94 -44.24 94.5 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.094 -1.003 . . . . 0.0 108.986 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.34 -42.87 96.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.164 -0.96 . . . . 0.0 109.265 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.28 -42.08 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.196 -0.94 . . . . 0.0 109.095 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.09 -43.78 95.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.402 -0.811 . . . . 0.0 109.273 179.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.11 -47.97 83.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.302 -0.873 . . . . 0.0 110.016 -179.322 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.99 -40.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.314 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -44.92 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.935 . . . . 0.0 109.064 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -41.55 92.41 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.502 -0.749 . . . . 0.0 109.036 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 52.3 mtt-85 -60.88 -40.01 91.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.729 -179.598 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.14 -40.03 88.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.176 -0.952 . . . . 0.0 109.142 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.964 . . . . 0.0 108.899 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.44 -42.33 95.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 0.0 109.161 179.623 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.8 tp -61.19 -41.85 97.54 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.358 -0.839 . . . . 0.0 109.023 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.06 -40.4 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.422 -0.799 . . . . 0.0 109.587 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.97 -40.1 87.92 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.069 -1.019 . . . . 0.0 109.143 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.5 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.983 -1.073 . . . . 0.0 109.602 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.2 p -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.098 -1.001 . . . . 0.0 109.418 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.35 -40.23 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.02 -41.2 91.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -48.38 86.35 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.118 -1.225 . . . . 0.0 109.878 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.945 . . . . 0.0 109.917 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.423 ' O ' ' OG1' ' A' ' 40' ' ' THR . 48.1 t-20 -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.163 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.87 -40.09 91.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.955 -1.091 . . . . 0.0 109.447 179.56 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -59.97 -40.83 90.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 72.7 p -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 39.2 mtt-85 -67.84 -39.18 83.89 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.108 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -41.99 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.088 -1.008 . . . . 0.0 108.496 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 40' ' ' THR . 82.0 p -60.14 -40.26 89.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.007 -1.058 . . . . 0.0 108.845 179.252 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.98 97.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.282 -1.511 . . . . 0.0 108.804 178.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.61 -40.0 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.535 -0.728 . . . . 0.0 110.247 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.843 -1.161 . . . . 0.0 109.541 -179.118 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.28 -39.99 96.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.711 -1.243 . . . . 0.0 109.677 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.7 m-85 -69.21 -40.04 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.549 -1.344 . . . . 0.0 108.789 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.54 -40.01 89.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.938 -1.101 . . . . 0.0 108.74 178.524 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.55 86.2 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.706 HE22 HD22 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.3 -40.01 84.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.099 -1.0 . . . . 0.0 108.643 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.93 77.57 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.835 -1.166 . . . . 0.0 108.208 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.09 179.698 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.691 HD22 HE22 ' C' ' 52' ' ' GLN . 6.7 t-20 . . . . . 0 N--CA 1.5 2.053 0 CA-C-O 121.418 0.628 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.29 126.66 35.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 108.645 179.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.28 110.32 15.61 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.82 135.17 36.41 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.675 0.75 . . . . 0.0 109.795 -178.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 t -92.23 113.86 60.47 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.414 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -90.26 -48.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.153 0 C-N-CA 121.655 1.57 . . . . 0.0 113.946 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.89 2.3 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -177.063 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -60.03 -47.83 84.22 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.288 -1.508 . . . . 0.0 112.611 -175.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.4 t30 -70.39 -44.87 67.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 119.89 -1.756 . . . . 0.0 110.04 -179.803 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.47 ' ND2' ' NE2' ' A' ' 87' ' ' GLN . 2.0 t-20 -60.13 -49.94 75.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 110.765 -178.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -64.89 -41.95 95.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.741 -1.225 . . . . 0.0 109.927 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -70.04 -40.02 75.4 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.114 -0.992 . . . . 0.0 109.692 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.437 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 39.9 t-105 -68.34 -39.98 81.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.398 -179.463 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.47 ' NE2' ' ND2' ' A' ' 83' ' ' ASN . 44.9 mt-30 -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.746 -1.221 . . . . 0.0 108.457 179.307 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -42.95 95.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.437 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 56.3 t90 -59.97 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.44 -0.787 . . . . 0.0 109.157 179.082 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.14 -41.62 98.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.352 -0.842 . . . . 0.0 109.277 179.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.26 -42.94 96.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 110.505 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.48 94.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.674 -1.266 . . . . 0.0 109.14 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.99 -40.97 89.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.284 -0.885 . . . . 0.0 108.831 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.01 -48.18 82.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.44 -0.788 . . . . 0.0 110.021 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -60.46 -47.58 85.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.938 -1.101 . . . . 0.0 109.632 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.59 -42.07 98.33 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.26 -0.9 . . . . 0.0 109.319 -179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.99 -46.11 92.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.53 -41.9 96.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.987 -179.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.464 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 47.0 t-20 -66.17 -40.03 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.662 -179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.18 -40.13 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 0.0 109.587 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -60.95 -40.62 94.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.01 75.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.346 -0.846 . . . . 0.0 109.783 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.09 -42.35 99.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -49.98 75.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 108.862 179.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -48.53 81.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.365 -0.834 . . . . 0.0 109.116 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.99 -40.98 95.54 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.304 -0.872 . . . . 0.0 109.353 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.43 97.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 109.719 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.07 -47.32 86.36 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.152 -0.968 . . . . 0.0 109.135 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.53 -50.01 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.008 . . . . 0.0 109.134 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.15 -40.14 96.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.497 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.95 -49.0 79.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.741 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -40.04 94.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 109.677 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -62.38 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.08 -1.012 . . . . 0.0 109.75 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.43 -43.48 98.79 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.091 -1.005 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.834 . . . . 0.0 109.704 179.89 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -63.11 -40.03 96.43 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.3 t -59.99 -40.9 90.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.431 -0.793 . . . . 0.0 109.754 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.3 tp -59.93 -46.22 90.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.401 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.15 -39.95 92.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.663 -0.648 . . . . 0.0 109.328 178.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.02 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -47.12 65.28 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 178.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.93 -47.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.288 -1.125 . . . . 0.0 109.234 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.8 t -59.94 -47.3 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.049 -1.032 . . . . 0.0 109.254 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.79 -40.03 91.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.89 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.0 -41.0 91.16 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.0 109.242 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.41 -40.11 89.82 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.005 -1.059 . . . . 0.0 109.079 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.02 -43.85 94.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.331 -0.856 . . . . 0.0 109.019 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -42.55 98.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.167 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.6 -42.08 99.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.96 . . . . 0.0 109.098 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.0 tp -60.05 -43.71 95.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.0 109.133 179.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.94 -47.94 83.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.04 -40.03 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -44.94 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.152 -0.967 . . . . 0.0 109.081 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -41.49 92.56 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.486 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 50.4 mtt-85 -61.1 -40.07 92.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.632 -0.668 . . . . 0.0 109.548 -179.559 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.145 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.02 -49.77 76.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -42.29 97.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.011 -1.056 . . . . 0.0 108.953 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.19 -41.62 97.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.437 -0.79 . . . . 0.0 109.052 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.34 -40.02 89.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 109.554 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.11 89.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.149 -0.969 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.426 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.6 mt -61.55 -41.87 98.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.882 . . . . 0.0 109.562 179.517 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -63.03 -40.05 96.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.229 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -40.0 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.301 -0.875 . . . . 0.0 108.835 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.441 -0.787 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.77 -48.31 86.7 Favored Glycine 0 N--CA 1.487 2.077 0 C-N-CA 119.422 -1.37 . . . . 0.0 109.714 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.05 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.057 -1.261 . . . . 0.0 109.944 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.15 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.429 ' O ' ' OG1' ' B' ' 40' ' ' THR . 47.9 t-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.985 . . . . 0.0 109.154 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.05 -40.01 92.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.026 -1.046 . . . . 0.0 109.554 179.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.02 -40.84 90.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.025 . . . . 0.0 109.858 -179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.3 p -60.11 -40.0 88.14 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.509 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 39.5 mtt-85 -67.76 -39.1 84.18 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -42.04 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.065 -1.022 . . . . 0.0 108.44 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 82.5 p -60.02 -40.24 88.6 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.942 -1.099 . . . . 0.0 108.907 179.132 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.52 98.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.38 -1.45 . . . . 0.0 108.689 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.411 HG22 HD11 ' B' ' 45' ' ' ILE . 83.9 mt -62.01 -39.96 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.51 -0.744 . . . . 0.0 110.338 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.91 -1.119 . . . . 0.0 109.489 -179.13 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.31 -39.99 96.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.774 -1.204 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.07 -39.97 78.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.685 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.0 -40.56 89.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.673 -1.267 . . . . 0.0 108.755 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.33 -40.09 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.042 -1.036 . . . . 0.0 108.679 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.96 -39.63 86.27 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.705 HE22 HD22 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.32 -39.73 84.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.096 -1.002 . . . . 0.0 108.637 -179.841 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.95 78.7 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.816 -1.178 . . . . 0.0 108.217 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.971 . . . . 0.0 108.975 179.788 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.706 HD22 HE22 ' A' ' 52' ' ' GLN . 6.6 t-20 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 121.421 0.629 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.86 36.04 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.199 -0.938 . . . . 0.0 108.59 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.51 110.35 15.89 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -80.11 134.89 36.22 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.695 0.759 . . . . 0.0 109.783 -178.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -91.9 113.8 60.03 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.773 . . . . 0.0 108.977 179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -90.21 -48.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.599 1.533 . . . . 0.0 113.863 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.39 -43.65 2.29 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -47.89 83.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.251 -1.531 . . . . 0.0 112.569 -175.686 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.4 t30 -70.31 -44.79 67.55 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.02 -1.675 . . . . 0.0 110.163 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.465 ' ND2' ' NE2' ' B' ' 87' ' ' GLN . 2.0 t-20 -60.25 -49.93 75.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.154 -0.966 . . . . 0.0 110.82 -178.893 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.86 -41.92 95.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.875 -1.141 . . . . 0.0 110.043 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -70.1 -40.01 75.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.163 -0.96 . . . . 0.0 109.656 179.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.447 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 40.2 t-105 -68.37 -39.99 81.58 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.01 -1.056 . . . . 0.0 109.341 -179.406 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . 0.465 ' NE2' ' ND2' ' B' ' 83' ' ' ASN . 45.1 mt-30 -60.02 -41.09 91.45 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.81 -1.181 . . . . 0.0 108.425 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.38 -42.66 96.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.447 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 55.8 t90 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.122 179.025 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 -41.67 98.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.342 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -60.23 -42.81 95.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.274 -0.891 . . . . 0.0 110.518 -179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.77 95.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.061 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.328 -0.857 . . . . 0.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.1 -48.46 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -60.58 -47.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.104 -0.997 . . . . 0.0 109.776 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.88 -42.27 98.86 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.139 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.352 -0.843 . . . . 0.0 109.545 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.68 -41.41 96.08 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 110.067 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 47.2 t-20 -66.23 -40.0 89.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 0.0 109.708 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.32 -40.0 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.06 -1.025 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -61.01 -41.14 95.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.98 75.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.393 -0.817 . . . . 0.0 109.852 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.1 -42.5 99.28 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.016 -1.052 . . . . 0.0 108.914 -179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.962 . . . . 0.0 108.886 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -48.77 80.34 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.3 -0.875 . . . . 0.0 109.061 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.7 -40.84 93.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 0.0 109.479 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.3 98.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.95 -47.88 83.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -50.06 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 109.345 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.29 -40.01 96.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -59.94 -49.04 79.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 109.605 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.51 -40.05 94.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.96 -40.04 94.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 109.868 179.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.44 -43.83 98.19 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.219 -0.926 . . . . 0.0 109.155 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.911 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -62.92 -39.97 96.18 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 13.4 t -60.06 -41.08 91.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.453 -0.779 . . . . 0.0 109.699 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' C' ' 5' ' ' THR . 58.2 tp -60.03 -45.77 91.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.921 -1.112 . . . . 0.0 108.093 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.36 -40.04 92.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.598 -0.688 . . . . 0.0 109.286 178.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.16 88.14 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.81 -47.29 61.8 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 178.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -47.4 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.305 -1.115 . . . . 0.0 109.209 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.06 -47.54 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.46 -40.02 89.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 0.0 109.888 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -40.81 90.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.97 -1.081 . . . . 0.0 109.247 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.53 -40.21 90.68 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.024 -1.047 . . . . 0.0 109.177 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -44.12 94.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.33 -0.856 . . . . 0.0 108.954 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.61 -42.74 97.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.205 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.46 -42.05 99.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.0 109.118 179.293 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.172 179.298 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.02 -47.94 83.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.316 -0.865 . . . . 0.0 110.185 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.06 -40.07 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.002 -1.061 . . . . 0.0 109.457 -179.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.93 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.159 -0.963 . . . . 0.0 108.999 179.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.07 -41.58 92.68 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.389 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.464 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 51.7 mtt-85 -60.9 -39.94 91.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.59 -0.693 . . . . 0.0 109.671 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.17 -39.97 88.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.874 . . . . 0.0 109.349 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.93 -49.87 75.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.975 . . . . 0.0 108.924 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.71 -42.34 97.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 108.936 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.22 -41.67 97.26 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.345 -0.847 . . . . 0.0 109.085 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' C' ' 31' ' ' THR . 22.7 mt -60.31 -40.27 89.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.576 179.631 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.05 -40.12 88.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.091 -1.006 . . . . 0.0 109.091 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.41 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -61.62 -41.87 98.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.562 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 77.3 p -63.0 -40.03 96.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.0 109.453 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.51 -40.05 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -59.87 -41.17 90.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.704 . . . . 0.0 110.276 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.4 86.27 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.01 -49.92 75.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.23 -1.159 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 110.227 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.422 ' O ' ' OG1' ' C' ' 40' ' ' THR . 47.7 t-20 -59.96 -40.07 87.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.124 -0.985 . . . . 0.0 109.106 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.92 -40.1 91.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.075 -1.016 . . . . 0.0 109.63 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.95 -40.84 90.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.115 -0.991 . . . . 0.0 109.9 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' C' ' 43' ' ' THR . 68.5 p -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 39.8 mtt-85 -67.85 -38.99 83.85 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -42.11 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.065 -1.022 . . . . 0.0 108.615 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.7 p -60.07 -39.96 87.83 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.18 -0.95 . . . . 0.0 108.83 179.226 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.04 97.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.358 -1.464 . . . . 0.0 108.648 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.407 HG22 HD11 ' C' ' 45' ' ' ILE . 84.1 mt -61.45 -40.0 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.52 -0.737 . . . . 0.0 110.274 -179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.99 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.847 -1.158 . . . . 0.0 109.501 -179.169 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.25 -40.11 96.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.737 -1.227 . . . . 0.0 109.667 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 58.7 m-85 -69.09 -39.98 78.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.58 -1.325 . . . . 0.0 108.786 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.96 -39.99 91.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.942 -1.099 . . . . 0.0 108.686 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.38 85.58 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.691 HE22 HD22 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.5 -40.0 85.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.84 77.12 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.744 -1.222 . . . . 0.0 108.265 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.772 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.705 HD22 HE22 ' B' ' 52' ' ' GLN . 6.7 t-20 . . . . . 0 N--CA 1.5 2.049 0 CA-C-O 121.36 0.6 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.58 35.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.891 . . . . 0.0 108.839 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -80.29 110.01 15.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 mt -79.66 134.92 36.44 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.671 0.748 . . . . 0.0 109.76 -178.323 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -92.11 113.92 60.56 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.21 -48.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.53 1.487 . . . . 0.0 114.002 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.67 2.31 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -177.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.91 -48.2 82.67 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.353 -1.467 . . . . 0.0 112.592 -175.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.5 t30 -70.06 -44.98 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.98 -1.7 . . . . 0.0 110.18 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . 0.467 ' ND2' ' NE2' ' C' ' 87' ' ' GLN . 2.0 t-20 -60.03 -50.01 75.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.205 -0.935 . . . . 0.0 110.571 -178.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.88 -41.76 95.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.805 -1.184 . . . . 0.0 110.129 -179.178 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 42.4 p -70.17 -40.05 74.92 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.189 -0.945 . . . . 0.0 109.537 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.442 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.0 t-105 -68.33 -40.04 81.76 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.42 -179.298 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . 0.467 ' NE2' ' ND2' ' C' ' 83' ' ' ASN . 45.1 mt-30 -60.0 -41.24 91.66 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.702 -1.248 . . . . 0.0 108.38 179.258 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.442 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 56.0 t90 -59.94 -50.05 75.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.465 -0.772 . . . . 0.0 109.089 179.064 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.43 -41.34 98.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.344 -0.848 . . . . 0.0 109.271 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.69 -42.84 97.94 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 110.444 -179.706 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -59.97 -42.5 94.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.043 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.8 -41.28 90.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.276 -0.89 . . . . 0.0 108.835 179.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.95 -48.2 82.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.344 -0.848 . . . . 0.0 109.871 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.59 -47.34 86.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.962 -1.086 . . . . 0.0 109.715 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.44 -42.53 98.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.187 -0.945 . . . . 0.0 109.243 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 -46.25 90.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 0.0 109.615 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -41.73 95.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.942 -179.167 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.486 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 47.0 t-20 -66.13 -39.92 90.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 0.0 109.641 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.3 -40.13 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.014 -1.054 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -60.99 -41.24 96.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.457 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.02 75.33 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.285 -0.885 . . . . 0.0 109.941 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.02 -42.35 99.07 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.026 -1.046 . . . . 0.0 108.92 -179.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.0 -49.92 75.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.023 179.278 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -48.69 80.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.001 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.69 -41.13 94.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.292 -0.88 . . . . 0.0 109.386 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.659 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.03 -47.82 84.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.156 -0.965 . . . . 0.0 109.187 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.13 -49.98 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.0 109.367 179.192 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -60.02 -48.99 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.412 -0.805 . . . . 0.0 109.599 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.64 -40.0 94.69 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.99 -40.29 95.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.988 -1.07 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.22 -43.63 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.196 -0.94 . . . . 0.0 109.347 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.488 1.45 0 O-C-N 121.24 -0.912 . . . . 0.0 109.552 179.864 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.39 145.03 32.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.342 -0.849 . . . . 0.0 109.714 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -89.63 61.44 5.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.716 HH12 ' N ' ' A' ' 122' ' ' ASN . 42.7 mtp180 -62.36 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.404 -0.81 . . . . 0.0 109.836 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.06 -45.49 92.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.011 -1.056 . . . . 0.0 108.768 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.6 tp -61.84 -44.43 96.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.064 -1.023 . . . . 0.0 108.783 178.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.32 -39.97 96.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.566 -0.708 . . . . 0.0 109.603 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.48 89.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.071 -1.018 . . . . 0.0 108.349 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.514 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -67.4 -48.31 58.47 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 178.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -49.0 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.337 -1.096 . . . . 0.0 109.106 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.68 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.45 -40.37 96.38 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 109.9 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.04 -41.23 91.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 109.375 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.23 -41.52 93.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.075 -1.015 . . . . 0.0 109.236 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.46 -44.06 96.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.164 -0.96 . . . . 0.0 109.249 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.61 -40.74 95.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.14 -0.975 . . . . 0.0 109.048 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.99 -40.54 95.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -0.865 . . . . 0.0 109.008 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.97 -44.37 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.0 -48.7 80.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.983 -179.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.07 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.95 -1.094 . . . . 0.0 108.919 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.09 -49.49 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -0.938 . . . . 0.0 108.517 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.02 -40.5 93.79 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -60.47 -39.94 89.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.663 -0.648 . . . . 0.0 109.759 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.08 -40.0 88.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 109.165 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.96 -44.8 94.19 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.085 -1.01 . . . . 0.0 108.993 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.87 -44.75 96.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.978 -1.076 . . . . 0.0 109.037 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.47 -41.61 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 109.501 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 31' ' ' THR . 17.0 mt -59.99 -40.22 88.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 109.831 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.7 91.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 109.426 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.6 mt -61.79 -41.36 97.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.073 -1.017 . . . . 0.0 109.521 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.487 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 73.4 p -63.51 -40.1 96.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' N ' ' HG1' ' A' ' 31' ' ' THR . 70.6 t -61.06 -40.13 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.333 -0.854 . . . . 0.0 108.919 179.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -59.98 -43.37 95.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.41 -0.806 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.24 86.93 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.127 -1.219 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -60.6 -39.97 90.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.089 -1.007 . . . . 0.0 110.66 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.684 HD22 HH21 ' A' ' 41' ' ' ARG . 42.4 t30 -60.0 -40.73 90.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.95 -1.094 . . . . 0.0 109.547 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.42 -39.95 89.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.073 -1.017 . . . . 0.0 109.164 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.06 -41.6 92.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.308 -0.87 . . . . 0.0 109.768 -179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.436 ' O ' ' OG1' ' A' ' 43' ' ' THR . 60.3 p -60.08 -40.92 91.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.89 -1.131 . . . . 0.0 108.643 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.684 HH21 HD22 ' A' ' 37' ' ' ASN . 87.0 mtt180 -66.19 -40.0 90.09 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.112 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -40.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.385 -0.822 . . . . 0.0 109.378 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 40' ' ' THR . 69.0 p -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.044 -1.035 . . . . 0.0 109.006 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.04 82.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.814 -1.179 . . . . 0.0 109.72 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.53 -41.6 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.071 -1.018 . . . . 0.0 111.053 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.25 -40.01 94.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.569 -1.332 . . . . 0.0 108.532 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.98 -45.49 92.55 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.195 179.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.6 m-85 -62.48 -39.93 95.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 178.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.66 -39.18 83.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.949 -1.094 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -39.89 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.871 -1.143 . . . . 0.0 108.83 178.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.03 -39.12 84.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.273 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.637 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 2.2 mp0 -59.92 -39.81 86.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.0 109.082 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.89 80.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.849 -1.157 . . . . 0.0 108.266 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.229 -0.92 . . . . 0.0 109.079 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.57 116.16 8.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.797 -1.19 . . . . 0.0 108.075 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.648 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.1 m-80 -133.75 -57.2 0.88 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.444 -0.785 . . . . 0.0 110.758 -178.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -154.39 115.37 4.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.058 -1.026 . . . . 0.0 110.503 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.404 ' H ' ' HB1' ' B' ' 57' ' ' ALA . 74.9 m95 -101.71 129.13 47.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.507 -0.746 . . . . 0.0 109.42 178.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 68.72 17.84 71.57 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.128 -1.034 . . . . 0.0 110.709 178.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.21 24.45 0.13 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.679 -1.483 . . . . 0.0 109.262 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.16 111.38 2.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.242 179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 32.2 m-85 -120.19 11.27 11.55 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.435 -0.791 . . . . 0.0 110.245 179.169 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -142.68 24.55 1.87 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.0 mt-30 -144.92 152.12 39.73 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -104.21 58.02 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.85 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.71 133.19 46.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.085 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -92.75 114.77 27.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.851 -1.156 . . . . 0.0 109.824 -178.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 69' ' ' THR . 11.8 t -109.91 120.33 42.13 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.705 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.648 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 98.4 t -121.62 83.81 42.16 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 121.496 -0.752 . . . . 0.0 109.046 -179.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.07 63.65 7.0 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.562 2.175 . . . . 0.0 111.266 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.7 t90 -68.93 136.81 89.76 Favored Pre-proline 0 C--N 1.303 -1.433 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 90.8 Cg_exo -39.91 149.53 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.122 0 C-N-CA 121.4 1.4 . . . . 0.0 111.165 179.444 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.636 ' ND2' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -128.86 -58.87 1.14 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.337 -0.852 . . . . 0.0 108.926 -179.621 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.18 127.75 40.2 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -79.95 110.25 15.15 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.852 -1.155 . . . . 0.0 107.922 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.8 135.76 37.17 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.722 0.772 . . . . 0.0 109.743 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.448 ' CB ' HD21 ' A' ' 82' ' ' ASN . 9.3 t -91.43 116.08 65.72 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.689 -0.632 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.87 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.533 1.489 . . . . 0.0 114.274 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.33 -42.17 2.37 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.703 ' HE1' ' ND2' ' A' ' 82' ' ' ASN . 4.2 p90 -59.8 -49.17 78.75 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.332 -1.48 . . . . 0.0 113.098 -175.313 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.703 ' ND2' ' HE1' ' A' ' 81' ' ' TRP . 83.8 m-20 -72.99 -45.72 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 119.853 -1.78 . . . . 0.0 110.628 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.897 -1.127 . . . . 0.0 110.993 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.28 -42.25 88.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.699 -1.25 . . . . 0.0 109.63 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 81' ' ' TRP . 77.5 p -70.04 -40.0 75.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.218 -0.926 . . . . 0.0 110.117 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.408 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 27.9 t-105 -68.85 -40.19 79.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.472 -179.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.16 -42.46 94.97 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.425 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.08 -41.34 98.07 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 108.914 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.431 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 55.9 t90 -60.03 -49.99 75.5 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.379 -0.825 . . . . 0.0 109.513 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.07 -40.03 96.46 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.333 -0.854 . . . . 0.0 109.454 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.48 -41.92 99.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.291 -0.88 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.02 -43.37 95.3 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.703 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.19 -41.79 90.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -43.53 95.14 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.983 . . . . 0.0 110.426 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.14 -40.06 78.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.759 -1.213 . . . . 0.0 108.915 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.53 -43.74 93.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.399 -0.813 . . . . 0.0 109.704 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.55 -43.76 96.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.748 -1.22 . . . . 0.0 109.573 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.32 -40.18 93.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.832 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -64.95 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.432 -0.793 . . . . 0.0 109.873 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.19 -40.24 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.063 -1.023 . . . . 0.0 109.739 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -62.06 -40.66 96.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.071 -1.018 . . . . 0.0 109.287 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.38 82.01 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.236 -0.915 . . . . 0.0 109.753 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.54 -39.93 94.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.16 -0.962 . . . . 0.0 109.7 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.61 -41.92 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.037 -1.04 . . . . 0.0 109.059 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.14 -45.59 94.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.602 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.33 -39.99 89.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -0.856 . . . . 0.0 108.999 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.97 97.85 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.399 -0.813 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -49.75 76.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.044 -1.035 . . . . 0.0 109.207 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.07 -50.03 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.872 . . . . 0.0 109.039 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.5 tt0 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.454 -0.779 . . . . 0.0 109.923 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.02 -46.58 89.01 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.821 -179.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -39.98 92.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.03 -1.044 . . . . 0.0 109.493 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -65.91 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.111 -0.993 . . . . 0.0 110.222 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.42 -41.53 98.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.811 -1.181 . . . . 0.0 109.842 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.75 -39.95 80.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.328 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.65 -41.65 95.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.25 -0.906 . . . . 0.0 108.955 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.477 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 53.9 tp -59.97 -40.91 90.69 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.74 -39.53 94.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.473 -0.767 . . . . 0.0 109.421 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.91 -35.45 74.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.409 -0.807 . . . . 0.0 109.994 -178.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.26 -47.81 77.81 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.851 -1.155 . . . . 0.0 108.39 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.716 ' N ' HH12 ' A' ' 4' ' ' ARG . 51.1 t30 -129.46 61.5 1.55 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.274 -0.891 . . . . 0.0 108.799 178.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.125 179.757 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.357 0.599 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.36 145.18 32.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.351 -0.843 . . . . 0.0 109.687 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -89.64 61.44 5.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.254 -0.904 . . . . 0.0 109.019 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.722 HH12 ' N ' ' B' ' 122' ' ' ASN . 42.9 mtp180 -62.37 -40.05 95.17 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.557 -0.714 . . . . 0.0 109.892 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 9.3 t -60.02 -45.59 92.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.023 -1.048 . . . . 0.0 108.79 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.9 tp -61.78 -43.93 97.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 108.915 178.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.85 -39.96 95.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.519 -0.738 . . . . 0.0 109.526 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.118 -0.989 . . . . 0.0 108.453 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.518 ' O ' ' NE2' ' C' ' 110' ' ' GLN . . . -67.91 -48.23 55.8 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -49.17 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.321 -1.105 . . . . 0.0 109.133 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.07 -45.71 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.004 -1.06 . . . . 0.0 108.678 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.53 -40.34 96.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.276 -0.89 . . . . 0.0 109.934 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.99 -41.49 92.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.308 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.251 -0.906 . . . . 0.0 109.288 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.19 -41.04 96.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.104 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -40.65 95.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.99 -44.31 94.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.08 -48.68 80.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.439 -0.788 . . . . 0.0 109.923 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.99 -40.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 0.0 108.972 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.48 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 108.534 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.09 -40.4 93.58 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.41 -40.07 89.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.642 -0.661 . . . . 0.0 109.722 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.107 -0.996 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.96 -44.87 94.16 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.196 -0.94 . . . . 0.0 108.883 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.85 -44.76 96.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.965 -1.084 . . . . 0.0 109.137 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.47 -41.69 94.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.477 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.409 ' O ' ' OG1' ' B' ' 31' ' ' THR . 16.9 mt -59.99 -40.27 88.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.786 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.09 -40.84 91.01 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.16 -0.962 . . . . 0.0 109.42 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -61.59 -41.68 97.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.047 -1.033 . . . . 0.0 109.558 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.496 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 71.5 p -63.39 -40.0 96.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.429 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.496 ' N ' ' HG1' ' B' ' 31' ' ' THR . 68.0 t -61.08 -40.04 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 108.947 179.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -59.99 -43.26 95.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.64 -47.93 88.53 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.11 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.112 . . . . 0.0 110.217 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.52 -40.05 90.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.981 -1.074 . . . . 0.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.693 HD22 HH21 ' B' ' 41' ' ' ARG . 42.2 t30 -59.97 -40.65 89.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.862 -1.149 . . . . 0.0 109.534 -179.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.53 -39.93 89.64 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -41.46 92.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 0.0 109.699 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' B' ' 43' ' ' THR . 70.3 p -60.11 -41.15 91.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.009 -1.057 . . . . 0.0 108.586 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.693 HH21 HD22 ' B' ' 37' ' ' ASN . 87.1 mtt180 -66.06 -40.04 90.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.351 -0.843 . . . . 0.0 109.399 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 40' ' ' THR . 68.1 p -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.957 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.12 83.06 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.81 -1.181 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.54 -41.61 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.996 -1.065 . . . . 0.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.23 -39.92 94.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.53 -1.357 . . . . 0.0 108.529 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -45.53 92.58 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.196 179.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.543 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 35.7 m-85 -62.35 -39.94 94.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.66 -39.35 84.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.873 -1.142 . . . . 0.0 108.868 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.921 -1.112 . . . . 0.0 108.743 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.01 -39.07 84.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.657 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 2.1 mp0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.098 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.81 79.87 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.836 -1.165 . . . . 0.0 108.254 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 0.0 109.093 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -68.57 116.15 8.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.857 -1.152 . . . . 0.0 107.984 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.643 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 71.1 m-80 -133.66 -56.98 0.89 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.311 -0.868 . . . . 0.0 110.717 -178.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.404 ' HB1' ' H ' ' A' ' 58' ' ' TRP . . . -154.68 115.29 3.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.0 -1.063 . . . . 0.0 110.578 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.432 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 73.9 m95 -101.68 129.06 47.74 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.533 -0.73 . . . . 0.0 109.379 179.187 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 68.82 17.75 71.68 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.019 -1.086 . . . . 0.0 110.761 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 24.38 0.14 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.647 -1.502 . . . . 0.0 109.309 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.29 111.42 2.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.311 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.483 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 32.1 m-85 -120.26 11.27 11.5 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.331 -0.856 . . . . 0.0 110.238 179.202 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.47 24.55 1.91 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.3 mt-30 -145.11 152.05 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.537 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -104.05 57.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.135 -0.978 . . . . 0.0 108.418 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.59 157.68 42.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 0.0 109.91 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.73 133.31 46.96 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -93.06 114.77 27.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.866 -1.146 . . . . 0.0 109.604 -178.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' B' ' 69' ' ' THR . 11.8 t -109.92 120.36 42.23 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.643 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 96.4 t -121.72 83.81 42.76 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.527 -0.733 . . . . 0.0 109.096 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.23 63.9 6.89 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.517 2.145 . . . . 0.0 111.254 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 30.2 t90 -69.01 136.56 89.57 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.419 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 89.4 Cg_exo -39.94 149.63 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.107 0 C-N-CA 121.437 1.425 . . . . 0.0 111.126 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.637 ' ND2' ' NE2' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -128.77 -59.03 1.15 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -0.802 . . . . 0.0 108.904 -179.545 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.98 127.77 39.94 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 10.3 p -80.16 110.37 15.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.3 mt -78.98 135.94 37.07 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.707 0.765 . . . . 0.0 109.78 -178.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.459 ' CB ' HD21 ' B' ' 82' ' ' ASN . 8.9 t -91.43 115.99 65.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -89.82 -47.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.405 1.403 . . . . 0.0 114.211 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.47 -42.23 2.35 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -176.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.71 ' HE1' ' ND2' ' B' ' 82' ' ' ASN . 4.2 p90 -59.78 -49.1 79.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.305 -1.497 . . . . 0.0 113.016 -175.251 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.71 ' ND2' ' HE1' ' B' ' 81' ' ' TRP . 84.2 m-20 -73.07 -45.68 55.95 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.778 -1.827 . . . . 0.0 110.6 -179.342 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.881 -1.137 . . . . 0.0 110.98 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.745 -1.222 . . . . 0.0 109.7 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 81' ' ' TRP . 75.1 p -70.16 -40.02 74.97 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.213 -0.929 . . . . 0.0 110.096 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.419 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 28.1 t-105 -69.0 -39.96 79.03 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 118.652 -1.219 . . . . 0.0 109.478 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.52 -42.38 96.33 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.706 -1.197 . . . . 0.0 108.405 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.01 -41.5 98.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 108.794 178.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.431 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 55.7 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.525 -0.735 . . . . 0.0 109.411 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.96 -39.99 96.35 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.259 -0.901 . . . . 0.0 109.547 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -62.64 -41.73 99.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 110.354 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.94 -43.66 94.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.784 -1.198 . . . . 0.0 108.657 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.86 -42.04 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.358 -0.839 . . . . 0.0 109.032 178.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 62.2 t0 -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.975 . . . . 0.0 110.55 -179.104 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 -39.97 78.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.678 -1.264 . . . . 0.0 109.01 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.51 -43.67 93.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.424 -0.798 . . . . 0.0 109.59 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -44.26 96.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.885 -1.134 . . . . 0.0 109.497 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.88 -40.19 92.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.295 -0.878 . . . . 0.0 109.368 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.365 -0.834 . . . . 0.0 109.945 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.14 -40.31 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.101 -1.0 . . . . 0.0 109.689 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.5 -40.22 96.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.943 -1.098 . . . . 0.0 109.272 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.51 81.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.3 -0.875 . . . . 0.0 109.74 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.38 -40.02 95.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.613 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.62 -42.09 91.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 109.12 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.67 -46.19 91.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.333 -0.855 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.97 -39.85 90.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.309 -0.87 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.85 98.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.338 -0.851 . . . . 0.0 109.394 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.075 -1.016 . . . . 0.0 109.351 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.09 -50.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.876 . . . . 0.0 109.1 179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.6 tt0 -61.01 -39.96 91.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.509 -0.745 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.08 -46.33 89.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.859 . . . . 0.0 109.783 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.73 -40.0 91.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.009 -1.057 . . . . 0.0 109.586 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -65.79 -40.01 91.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.047 -1.033 . . . . 0.0 110.166 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.56 -42.0 99.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.806 -1.184 . . . . 0.0 109.703 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.57 -39.98 80.78 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.172 -0.955 . . . . 0.0 109.479 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -41.23 93.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.28 -0.887 . . . . 0.0 109.109 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.75 -39.95 90.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 54.1 tp -59.99 -40.99 91.06 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.46 -39.65 95.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.452 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.96 -35.26 74.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.849 . . . . 0.0 110.109 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.33 -47.82 78.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.846 -1.159 . . . . 0.0 108.401 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . 0.722 ' N ' HH12 ' B' ' 4' ' ' ARG . 50.8 t30 -129.45 61.3 1.55 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.24 -0.913 . . . . 0.0 109.002 178.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.318 179.809 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 92.2 mm-40 -80.16 145.14 32.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.412 -0.805 . . . . 0.0 109.733 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -89.62 61.44 5.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.322 -0.861 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.722 HH12 ' H ' ' C' ' 122' ' ' ASN . 42.7 mtp180 -62.31 -40.02 94.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.524 -0.735 . . . . 0.0 109.851 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 9.1 t -59.94 -45.75 91.61 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 108.742 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.8 tp -61.62 -44.31 97.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.141 -0.974 . . . . 0.0 108.882 178.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.49 -39.92 95.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 0.0 109.622 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.96 87.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.007 -1.058 . . . . 0.0 108.41 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.487 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -68.05 -48.25 54.82 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.14 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.507 -0.996 . . . . 0.0 109.167 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.03 -45.78 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 108.686 179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.43 -40.43 96.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.02 -41.35 91.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.118 -0.989 . . . . 0.0 109.283 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.99 -41.91 93.08 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.068 -1.02 . . . . 0.0 109.157 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.38 -44.07 96.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.217 -0.927 . . . . 0.0 109.214 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.42 -40.82 95.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.147 -0.971 . . . . 0.0 109.007 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.0 -40.47 94.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.817 . . . . 0.0 109.003 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.03 -48.65 80.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 0.0 109.981 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.99 -40.96 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 108.943 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.92 -49.44 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.0 108.59 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -61.12 -40.53 94.12 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.678 -0.639 . . . . 0.0 109.795 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.172 -0.955 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.04 -45.03 94.18 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.115 -0.99 . . . . 0.0 108.881 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.48 -45.15 94.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.999 -1.063 . . . . 0.0 109.044 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.15 -41.87 93.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.433 -0.792 . . . . 0.0 109.535 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.426 ' O ' ' OG1' ' C' ' 31' ' ' THR . 16.6 mt -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.799 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.087 -1.008 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.431 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -61.36 -41.79 97.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 109.536 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 73.9 p -63.19 -40.18 96.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.441 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.484 ' N ' ' HG1' ' C' ' 31' ' ' THR . 71.6 t -61.07 -39.96 84.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.266 -0.896 . . . . 0.0 109.006 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.98 -43.33 95.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 0.0 110.261 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -48.08 87.77 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -50.04 75.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -1.202 . . . . 0.0 110.245 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.48 -40.01 89.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.047 -1.033 . . . . 0.0 110.656 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.704 HD22 HH21 ' C' ' 41' ' ' ARG . 42.3 t30 -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.919 -1.113 . . . . 0.0 109.624 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.6 -39.93 89.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.042 -1.036 . . . . 0.0 109.155 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.09 -41.22 92.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 0.0 109.803 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' C' ' 43' ' ' THR . 69.6 p -60.22 -41.21 92.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.876 -1.14 . . . . 0.0 108.52 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.704 HH21 HD22 ' C' ' 37' ' ' ASN . 87.3 mtt180 -66.01 -40.01 90.75 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.59 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.45 -0.781 . . . . 0.0 109.343 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' C' ' 40' ' ' THR . 69.3 p -59.91 -40.05 87.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.997 -1.064 . . . . 0.0 109.148 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.88 82.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 109.553 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.404 HD11 HG22 ' C' ' 45' ' ' ILE . 83.3 mt -61.72 -41.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 0.0 111.057 -179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.31 -40.04 94.99 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.539 -1.351 . . . . 0.0 108.553 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.0 -45.24 93.39 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 118.952 -1.099 . . . . 0.0 108.205 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.551 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.7 m-85 -62.69 -40.06 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.603 178.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.58 -39.31 83.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.923 -1.111 . . . . 0.0 108.913 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.816 -1.178 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.97 -39.4 85.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.162 -0.961 . . . . 0.0 109.115 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 2.1 mp0 -59.71 -39.91 86.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.07 -1.019 . . . . 0.0 109.148 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.92 79.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.766 -1.209 . . . . 0.0 108.238 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.92 -40.0 87.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.125 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.48 116.17 8.72 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.647 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 71.0 m-80 -133.64 -57.33 0.89 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.435 -0.791 . . . . 0.0 110.793 -178.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.432 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -154.53 114.99 3.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.084 -1.01 . . . . 0.0 110.598 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.438 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 74.6 m95 -101.5 129.02 47.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.509 -0.745 . . . . 0.0 109.47 179.111 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 68.95 17.46 71.63 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.783 178.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.12 24.6 0.13 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.668 -1.49 . . . . 0.0 109.135 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.38 111.21 2.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.366 -0.834 . . . . 0.0 109.266 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.506 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.1 m-85 -120.2 11.39 11.57 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.45 -0.781 . . . . 0.0 110.284 179.057 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.48 24.44 1.91 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 177.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.483 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.4 mt-30 -144.86 152.0 39.6 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -104.24 57.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 108.469 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.72 42.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.529 -0.732 . . . . 0.0 109.797 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.83 133.23 46.81 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -92.81 114.71 27.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 0.0 109.733 -178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 69' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' C' ' 69' ' ' THR . 11.8 t -109.97 120.25 41.86 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.647 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 97.7 t -121.74 83.81 42.92 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.436 -0.79 . . . . 0.0 109.084 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.11 63.82 6.98 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.497 2.131 . . . . 0.0 111.274 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.415 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 29.6 t90 -68.84 136.74 89.96 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.415 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.6 Cg_exo -39.85 149.51 0.12 Allowed 'Trans proline' 0 N--CA 1.486 1.07 0 C-N-CA 121.44 1.427 . . . . 0.0 111.176 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.657 ' ND2' ' NE2' ' B' ' 52' ' ' GLN . 0.4 OUTLIER -128.86 -59.03 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.415 -0.803 . . . . 0.0 108.926 -179.535 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.19 127.9 40.3 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p -80.01 110.35 15.31 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.836 -1.165 . . . . 0.0 107.951 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.94 136.04 37.13 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.68 0.752 . . . . 0.0 109.791 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.457 ' CB ' HD21 ' C' ' 82' ' ' ASN . 9.1 t -91.59 116.03 65.66 Favored Pre-proline 0 N--CA 1.49 1.568 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -89.76 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.361 1.374 . . . . 0.0 114.216 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.41 -42.33 2.35 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.698 ' HE1' ' ND2' ' C' ' 82' ' ' ASN . 4.1 p90 -59.71 -48.73 80.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.36 -1.462 . . . . 0.0 113.045 -175.188 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.698 ' ND2' ' HE1' ' C' ' 81' ' ' TRP . 84.0 m-20 -73.36 -45.79 52.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 119.833 -1.792 . . . . 0.0 110.598 -179.304 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.1 -49.95 75.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.94 -1.1 . . . . 0.0 110.884 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.26 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.671 -1.268 . . . . 0.0 109.753 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 85' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' C' ' 81' ' ' TRP . 75.6 p -70.11 -39.92 75.2 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.02 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -69.1 -40.0 78.63 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.514 -178.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.36 -42.36 95.63 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.429 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.98 -41.3 97.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.317 -0.865 . . . . 0.0 108.881 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.5 t90 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.544 -0.723 . . . . 0.0 109.487 179.541 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.06 96.52 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.365 -0.834 . . . . 0.0 109.465 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.42 -41.97 99.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.208 -0.932 . . . . 0.0 110.37 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.88 -43.53 94.69 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.779 -1.201 . . . . 0.0 108.611 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.85 -42.11 91.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 61.8 t0 -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.504 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.99 -39.98 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.78 -1.2 . . . . 0.0 109.009 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.58 -43.78 92.76 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 109.684 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.37 -44.03 95.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.859 -1.15 . . . . 0.0 109.52 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.04 -40.24 92.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.3 -0.875 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.98 -40.02 94.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.854 . . . . 0.0 109.86 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.15 -40.14 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.0 -1.062 . . . . 0.0 109.684 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.0 p -62.48 -40.28 96.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.968 -1.083 . . . . 0.0 109.313 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.04 83.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.231 -0.918 . . . . 0.0 109.71 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.63 -39.97 94.64 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.13 -0.981 . . . . 0.0 109.741 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.8 -41.88 91.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.044 -1.035 . . . . 0.0 108.989 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -45.9 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.635 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.1 -39.98 90.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.258 -0.901 . . . . 0.0 109.017 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.96 97.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.297 -0.877 . . . . 0.0 109.354 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.02 -49.91 75.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.13 -50.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.13 -0.981 . . . . 0.0 109.012 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 9' ' ' GLY . 63.4 tt0 -60.75 -40.13 91.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.465 -0.772 . . . . 0.0 110.024 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.96 -45.96 90.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 109.858 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.23 -40.05 90.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.98 -1.075 . . . . 0.0 109.529 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -65.68 -40.09 91.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.084 -1.01 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.41 -41.78 98.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.794 -1.192 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.82 -40.07 79.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.942 . . . . 0.0 109.318 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.26 -41.85 94.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.417 -0.802 . . . . 0.0 109.603 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . 0.472 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 53.7 tp -60.01 -40.84 90.62 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.54 -39.78 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.419 -0.801 . . . . 0.0 109.509 179.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.96 -34.85 73.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -178.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.71 -47.48 79.84 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.897 -1.127 . . . . 0.0 108.306 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . 0.722 ' H ' HH12 ' C' ' 4' ' ' ARG . 50.2 t30 -129.78 61.46 1.56 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.318 -0.864 . . . . 0.0 108.863 178.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.213 179.769 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.494 HE22 ' NE2' ' C' ' 2' ' ' GLN . 92.0 mm-40 -77.02 145.37 38.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.306 -0.872 . . . . 0.0 109.773 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.02 60.43 4.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.956 . . . . 0.0 109.193 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -66.18 -39.61 89.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.427 -0.796 . . . . 0.0 109.037 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.93 -42.38 93.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.139 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.8 tp -60.09 -44.53 94.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 108.844 179.142 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.09 -39.77 87.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.554 -0.716 . . . . 0.0 109.683 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.02 87.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.044 -1.035 . . . . 0.0 108.592 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.2 -47.02 55.42 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 10' ' ' ILE . 96.8 mt -60.06 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -1.1 . . . . 0.0 109.911 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.19 -41.44 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.35 -40.87 92.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.491 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.6 tp-100 -60.11 -40.75 90.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.272 -0.893 . . . . 0.0 109.666 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.07 -41.59 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.974 . . . . 0.0 109.285 -179.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.21 -40.9 95.69 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -0.976 . . . . 0.0 109.439 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.0 mt-30 -64.14 -40.06 95.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.51 -41.56 98.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.19 -0.944 . . . . 0.0 109.499 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.85 -42.09 97.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.263 -0.898 . . . . 0.0 109.102 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.0 -46.98 87.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.156 -0.965 . . . . 0.0 110.105 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.8 t -59.99 -40.09 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.608 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.0 -43.85 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.197 -0.94 . . . . 0.0 108.835 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.17 -41.23 92.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.564 -0.71 . . . . 0.0 109.281 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 23' ' ' ARG . 52.4 mtt-85 -60.64 -39.95 90.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.125 -0.984 . . . . 0.0 108.6 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.95 -47.33 86.24 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.094 -1.004 . . . . 0.0 109.313 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.01 -41.27 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.016 -1.053 . . . . 0.0 109.675 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.27 -40.01 94.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.177 -0.952 . . . . 0.0 109.244 179.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' OG1' ' A' ' 31' ' ' THR . 18.2 mt -60.04 -40.29 88.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 108.934 179.106 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.44 -40.45 91.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.1 mt -63.45 -40.69 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.967 -1.083 . . . . 0.0 109.325 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 77.0 p -64.05 -40.05 95.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.105 -0.997 . . . . 0.0 109.185 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 54.4 t -60.53 -40.03 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.393 -0.817 . . . . 0.0 109.278 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.11 -40.75 90.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.226 -0.921 . . . . 0.0 109.639 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.7 97.0 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.85 -1.382 . . . . 0.0 109.324 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.3 mttp -61.36 -39.95 92.49 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.421 178.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -59.93 -40.46 88.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.433 -0.792 . . . . 0.0 109.697 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.09 -40.06 88.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.934 -1.104 . . . . 0.0 108.782 179.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.99 -39.52 85.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.431 -0.793 . . . . 0.0 108.862 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 45.7 p -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.746 -1.221 . . . . 0.0 108.897 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.538 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.6 mtt-85 -62.86 -40.04 96.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.684 -1.26 . . . . 0.0 108.397 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.64 -41.11 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.626 -0.671 . . . . 0.0 109.726 -179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 40' ' ' THR . 62.9 p -59.93 -40.03 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.898 -1.126 . . . . 0.0 109.334 -179.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.84 85.23 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.116 -0.99 . . . . 0.0 108.708 179.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.68 -39.94 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.752 -0.592 . . . . 0.0 109.805 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 108.691 -179.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.33 -45.41 94.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.485 -0.759 . . . . 0.0 109.567 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.1 m-85 -64.73 -39.99 94.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD21 HE22 ' C' ' 52' ' ' GLN . 83.5 mt -59.95 -39.94 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.952 -1.093 . . . . 0.0 108.924 -179.597 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.142 . . . . 0.0 108.649 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.01 -41.17 91.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.556 -0.715 . . . . 0.0 109.776 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.436 HE22 HD21 ' B' ' 49' ' ' LEU . 25.3 mt-30 -60.89 -39.93 91.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.195 -0.941 . . . . 0.0 109.835 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.5 75.69 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.819 -1.176 . . . . 0.0 107.885 179.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -59.98 -37.85 80.84 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.5 mt -67.34 117.27 9.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 26.6 m120 -132.94 -56.25 0.93 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.82 . . . . 0.0 110.693 -179.26 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.36 114.96 3.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.974 -1.079 . . . . 0.0 110.894 -178.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -102.3 128.98 48.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.418 -0.801 . . . . 0.0 109.5 178.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 69.67 19.1 74.56 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.18 22.94 0.11 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.303 . . . . 0.0 109.25 -179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.3 107.8 1.61 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 179.158 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -108.1 12.18 27.01 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.248 -0.908 . . . . 0.0 110.543 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.647 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 57.2 mtp180 -139.86 24.0 2.41 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.028 -1.045 . . . . 0.0 108.931 177.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.47 152.75 34.73 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -102.94 62.78 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.1 -1.0 . . . . 0.0 109.234 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.06 156.7 42.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 109.745 179.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -131.35 133.54 45.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.44 115.8 28.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.699 -1.25 . . . . 0.0 108.853 -179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 t -109.61 121.08 44.42 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 98.3 t -123.43 85.07 52.42 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.311 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.91 65.08 4.49 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.2 2.6 . . . . 0.0 112.515 -179.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.407 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 13.3 t90 -69.12 140.23 90.7 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 9.8 Cg_endo -53.05 147.37 34.18 Favored 'Trans proline' 0 C--N 1.315 -1.227 0 CA-C-N 120.133 1.083 . . . . 0.0 110.197 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 8.6 t-20 -132.11 -32.19 1.41 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.903 0.859 . . . . 0.0 108.885 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.29 122.54 35.79 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -86.06 101.03 12.59 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.487 0.66 . . . . 0.0 109.561 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 78' ' ' THR . 12.2 t -96.51 112.26 59.54 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -91.05 -48.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.214 0 C-N-CA 121.455 1.436 . . . . 0.0 114.124 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.33 -44.94 2.24 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.1 p90 -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.155 -1.591 . . . . 0.0 112.379 -175.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 14.0 t-20 -79.26 -37.8 37.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.079 -1.638 . . . . 0.0 109.709 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.97 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.193 -0.942 . . . . 0.0 109.777 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.98 -40.93 97.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.897 -1.127 . . . . 0.0 109.364 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.1 p -67.52 -40.06 85.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.157 -0.964 . . . . 0.0 109.445 179.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 54.1 t-105 -63.81 -39.99 95.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.025 . . . . 0.0 109.316 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.22 -40.48 90.29 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.046 -1.033 . . . . 0.0 109.132 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.54 -40.76 92.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.026 -1.046 . . . . 0.0 108.759 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.401 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 56.2 t90 -60.04 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.199 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.39 -42.35 98.58 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 179.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' A' ' 91' ' ' ARG . 42.6 mtt-85 -61.73 -40.19 94.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.22 -42.83 99.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.738 -1.226 . . . . 0.0 109.575 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.16 -40.48 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.041 -1.037 . . . . 0.0 108.719 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -60.72 -43.16 98.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.477 -0.764 . . . . 0.0 110.532 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.61 -39.96 80.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.809 -1.182 . . . . 0.0 109.725 -179.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.03 -40.27 82.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.162 -0.961 . . . . 0.0 108.867 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.04 -48.32 82.2 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.355 -0.841 . . . . 0.0 109.17 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.08 -42.23 94.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.348 -0.845 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -63.28 -40.04 96.28 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.35 -0.844 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.39 -40.43 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -61.43 -41.34 97.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.05 75.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 109.446 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.12 -42.9 99.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.042 -1.036 . . . . 0.0 109.463 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.06 -47.38 86.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.175 -0.953 . . . . 0.0 108.642 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -49.59 77.08 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.086 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.83 -41.9 96.67 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.33 97.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 110.074 -179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.16 -43.85 98.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 109.53 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.13 -50.01 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.299 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.03 94.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 0.0 110.057 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.145 -0.972 . . . . 0.0 109.762 -179.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.87 -40.0 95.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.08 -1.013 . . . . 0.0 109.589 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.44 -40.07 95.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.204 -0.935 . . . . 0.0 109.795 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.28 -42.8 99.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp -67.72 -39.98 84.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.053 -1.03 . . . . 0.0 108.405 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -60.07 -49.84 76.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.26 -40.06 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.095 -1.003 . . . . 0.0 108.949 179.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.96 -40.91 90.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.84 . . . . 0.0 109.467 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.05 -40.59 89.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.099 -1.001 . . . . 0.0 109.682 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -60.13 -39.97 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.046 -1.034 . . . . 0.0 109.796 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -47.96 81.29 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -125.98 62.85 1.24 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.517 ' NE2' HE22 ' C' ' 2' ' ' GLN . 92.3 mm-40 -76.87 145.29 38.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.864 . . . . 0.0 109.731 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -90.01 60.65 4.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 109.154 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.28 -39.63 89.54 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.43 -0.794 . . . . 0.0 109.048 179.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.0 t -60.07 -42.29 94.23 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 109.142 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.3 tp -60.04 -44.69 94.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 108.79 179.123 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.373 -0.829 . . . . 0.0 109.602 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.0 85.92 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.022 -1.049 . . . . 0.0 108.71 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.83 55.31 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -49.93 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -1.075 . . . . 0.0 109.942 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.36 -41.73 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 109.503 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.08 -40.96 91.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.204 -0.935 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.507 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.6 tp-100 -60.06 -40.52 89.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 0.0 109.769 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 109.41 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.26 -40.5 94.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.414 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.507 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 26.9 mt-30 -64.51 -39.98 94.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.59 -41.6 98.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 0.0 109.474 179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.66 -42.09 96.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.368 -0.833 . . . . 0.0 109.2 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.16 -46.78 88.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.061 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -60.11 -40.1 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.077 -1.015 . . . . 0.0 109.478 -179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.04 -44.05 93.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.218 -0.926 . . . . 0.0 108.937 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -41.22 91.87 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.539 -0.726 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -60.61 -40.02 90.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 109.941 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.651 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.89 -47.44 85.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.185 -0.947 . . . . 0.0 109.229 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.89 -41.25 99.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.014 -1.054 . . . . 0.0 109.738 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.1 tp -62.33 -40.02 95.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 109.304 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' B' ' 31' ' ' THR . 18.6 mt -60.02 -40.52 89.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.154 -0.967 . . . . 0.0 109.111 179.007 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.1 -40.92 91.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.448 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.9 mt -63.01 -40.92 99.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.895 -1.128 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 80.1 p -63.93 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.245 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.527 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 54.4 t -60.63 -40.01 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.307 -0.871 . . . . 0.0 109.295 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -60.02 -40.79 90.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.488 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.65 97.04 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.563 -1.303 . . . . 0.0 109.969 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.09 -49.96 75.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.852 -1.381 . . . . 0.0 109.234 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.527 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.4 mttp -61.33 -40.01 92.65 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.26 -0.9 . . . . 0.0 109.523 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -60.0 -40.44 89.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.42 -0.8 . . . . 0.0 109.68 -178.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.922 -1.111 . . . . 0.0 108.875 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.04 -39.47 86.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' B' ' 43' ' ' THR . 45.1 p -59.93 -41.61 92.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.69 -1.256 . . . . 0.0 108.906 -179.339 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.555 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.5 mtt-85 -63.07 -39.97 96.29 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.457 -1.297 . . . . 0.0 108.34 178.335 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.59 -41.07 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.52 -0.737 . . . . 0.0 109.814 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.0 p -59.99 -39.97 87.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.97 -1.081 . . . . 0.0 109.27 -179.466 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.61 85.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 108.745 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.84 -39.98 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.635 -0.665 . . . . 0.0 109.702 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.97 -40.07 87.84 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.155 -0.966 . . . . 0.0 108.654 -179.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.41 -45.25 95.11 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.696 -0.801 . . . . 0.0 109.548 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.7 m-85 -64.72 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.436 HD21 HE22 ' A' ' 52' ' ' GLN . 83.6 mt -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.975 -1.078 . . . . 0.0 108.839 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -62.84 -39.99 96.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.815 -1.178 . . . . 0.0 108.665 178.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.0 -41.05 91.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.507 -0.746 . . . . 0.0 109.85 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.427 HE22 HD21 ' C' ' 49' ' ' LEU . 25.4 mt-30 -60.92 -39.95 91.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.773 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.41 75.32 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 120.838 -1.164 . . . . 0.0 107.877 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.05 -37.64 80.44 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 mt -67.64 117.16 9.19 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 26.8 m120 -132.88 -56.27 0.93 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.418 -0.801 . . . . 0.0 110.563 -179.1 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.39 114.97 3.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 110.958 -178.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -102.21 129.44 48.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.435 -0.791 . . . . 0.0 109.394 178.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.03 19.61 73.94 Favored Glycine 0 N--CA 1.492 2.413 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.392 179.159 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.64 22.64 0.13 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.892 -1.358 . . . . 0.0 109.262 -179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.9 108.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.391 179.089 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -108.26 12.15 26.74 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.205 -0.934 . . . . 0.0 110.516 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.614 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 57.5 mtp180 -139.85 24.0 2.41 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.912 -1.117 . . . . 0.0 108.877 177.414 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.42 152.69 34.7 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.95 62.9 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.09 -1.006 . . . . 0.0 109.25 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.06 156.7 42.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.349 -0.844 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -131.33 133.58 45.48 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.52 115.7 28.26 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.708 -1.245 . . . . 0.0 108.845 -179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 11.9 t -109.51 121.13 44.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.63 -0.669 . . . . 0.0 109.247 -179.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 97.5 t -123.53 85.06 52.81 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.276 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.94 65.25 4.45 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 123.182 2.588 . . . . 0.0 112.507 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.409 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 12.7 t90 -69.15 140.35 90.72 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.532 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.409 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 9.7 Cg_endo -53.18 147.39 35.32 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 CA-C-N 120.232 1.119 . . . . 0.0 110.154 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 8.8 t-20 -132.26 -31.93 1.4 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.319 -0.863 . . . . 0.0 108.798 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.41 122.73 36.13 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.443 ' OG ' ' OH ' ' A' ' 48' ' ' TYR . 1.5 m -86.32 100.85 12.58 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 mt -84.61 133.44 34.42 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.498 0.666 . . . . 0.0 109.539 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' B' ' 78' ' ' THR . 12.4 t -96.25 112.48 59.9 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -91.07 -49.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.52 1.48 . . . . 0.0 114.104 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -122.03 -45.01 2.27 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.663 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.1 p90 -59.82 -52.89 63.54 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.162 -1.586 . . . . 0.0 112.389 -175.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.663 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 14.2 t-20 -79.18 -37.73 37.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 119.933 -1.729 . . . . 0.0 109.649 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' B' ' 78' ' ' THR . 17.4 m120 -60.02 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.12 -0.988 . . . . 0.0 109.795 -179.514 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.14 -41.0 97.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.921 -1.112 . . . . 0.0 109.281 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -67.55 -39.93 84.96 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.179 -0.951 . . . . 0.0 109.385 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 54.2 t-105 -63.74 -40.0 95.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.97 -1.081 . . . . 0.0 109.35 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.23 -40.57 90.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.955 -1.09 . . . . 0.0 108.994 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -40.95 92.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.76 178.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.417 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 56.5 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.367 -0.833 . . . . 0.0 109.185 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.43 -42.2 98.38 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.211 -0.931 . . . . 0.0 109.767 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' B' ' 91' ' ' ARG . 43.1 mtt-85 -61.62 -40.68 95.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 110.616 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.83 -42.75 98.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.682 -1.261 . . . . 0.0 109.672 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.49 -40.39 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.04 -1.037 . . . . 0.0 108.66 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.63 -43.24 97.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.51 -0.744 . . . . 0.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.46 -40.1 81.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.864 -1.147 . . . . 0.0 109.637 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -40.0 83.04 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.92 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.01 -48.52 81.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.286 -0.884 . . . . 0.0 109.111 179.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.03 -42.21 93.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.175 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -63.56 -40.05 95.98 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.222 -0.924 . . . . 0.0 109.461 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.1 -40.54 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 109.202 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 -41.1 96.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.082 -1.011 . . . . 0.0 109.666 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.57 77.12 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.121 -0.987 . . . . 0.0 109.584 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.68 -42.73 99.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.12 -47.43 85.93 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.557 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -49.49 77.46 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.418 -0.801 . . . . 0.0 109.078 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.75 -41.81 96.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.507 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.22 99.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 0.0 110.065 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.14 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.983 -1.073 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.314 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.24 -40.06 93.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.03 -49.63 76.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 0.0 109.813 -179.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.01 -40.12 95.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.006 -1.059 . . . . 0.0 109.561 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.33 -40.07 95.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.898 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.39 -42.59 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.035 -1.04 . . . . 0.0 109.95 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp -68.01 -40.06 83.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 108.417 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.545 -0.722 . . . . 0.0 109.205 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.116 -0.99 . . . . 0.0 109.009 179.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -40.85 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.435 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.0 mt-30 -60.05 -40.76 90.56 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.089 -1.007 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.094 -1.004 . . . . 0.0 109.698 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.0 -47.86 81.77 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -126.01 63.03 1.24 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.288 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.517 HE22 ' NE2' ' B' ' 2' ' ' GLN . 91.9 mm-40 -76.83 145.29 38.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.36 -0.838 . . . . 0.0 109.808 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.09 60.61 4.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 109.165 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.403 ' NH1' ' O ' ' C' ' 121' ' ' LEU . 97.0 mtt180 -66.13 -39.86 90.19 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 15.0 t -59.88 -42.43 93.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.29 -0.881 . . . . 0.0 109.113 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.438 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.5 tp -60.03 -44.6 94.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.713 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.05 -39.85 87.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.816 . . . . 0.0 109.631 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.987 -1.07 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.23 -46.98 55.39 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 178.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.418 HG22 HD11 ' C' ' 10' ' ' ILE . 96.8 mt -60.03 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.356 -1.085 . . . . 0.0 109.88 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.35 -41.62 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.413 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.6 tp-100 -60.06 -40.71 90.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.03 -41.73 92.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.091 -1.005 . . . . 0.0 109.248 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.09 -40.94 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.448 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.502 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.0 mt-30 -63.98 -40.26 95.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.641 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -63.45 -41.46 98.65 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.189 -0.945 . . . . 0.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.79 -42.05 96.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.154 -0.966 . . . . 0.0 109.315 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.97 -47.04 87.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 0.0 110.037 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.0 -40.12 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 109.65 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -43.96 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.279 -0.888 . . . . 0.0 108.803 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.06 -41.29 92.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.596 -0.69 . . . . 0.0 109.234 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -60.59 -39.99 90.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 109.915 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.05 -39.87 87.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.118 -0.989 . . . . 0.0 108.623 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -60.07 -46.84 88.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.354 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.9 98.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.179 -0.951 . . . . 0.0 109.27 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' C' ' 31' ' ' THR . 18.3 mt -60.01 -40.42 89.19 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.029 178.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.11 -41.09 99.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 77.3 p -63.91 -40.01 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.165 -0.96 . . . . 0.0 109.252 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.535 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 54.3 t -60.35 -40.15 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.326 -0.859 . . . . 0.0 109.294 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.92 -40.84 90.22 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.237 -0.915 . . . . 0.0 109.646 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.69 96.87 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.587 -1.292 . . . . 0.0 109.954 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.03 -50.06 75.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.971 -1.311 . . . . 0.0 109.269 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . 0.535 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.48 -40.11 93.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.807 . . . . 0.0 109.415 178.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -59.98 -40.27 88.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.655 -178.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.19 -40.07 88.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.91 -1.119 . . . . 0.0 108.779 179.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.95 -39.55 85.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.33 -0.856 . . . . 0.0 108.893 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' C' ' 43' ' ' THR . 44.9 p -59.97 -41.65 92.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.761 -1.212 . . . . 0.0 108.864 -179.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.58 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 47.2 mtt-85 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.59 -1.319 . . . . 0.0 108.474 178.193 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.66 -41.16 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 -179.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' C' ' 40' ' ' THR . 61.1 p -59.9 -40.07 87.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.876 -1.14 . . . . 0.0 109.218 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.66 85.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.84 -39.99 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 0.0 109.782 179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.05 -40.04 88.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.169 -0.957 . . . . 0.0 108.604 -179.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.34 -45.35 94.78 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.415 -0.803 . . . . 0.0 109.595 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . 0.427 HD21 HE22 ' B' ' 52' ' ' GLN . 83.7 mt -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.911 -1.118 . . . . 0.0 108.844 -179.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.59 -40.05 95.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.809 -1.182 . . . . 0.0 108.803 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.03 -41.1 91.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.557 -0.714 . . . . 0.0 109.82 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.432 HE22 HD21 ' A' ' 49' ' ' LEU . 25.5 mt-30 -60.9 -40.05 91.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -0.972 . . . . 0.0 109.746 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.51 75.31 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.875 -1.141 . . . . 0.0 107.968 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 56.0 tt0 -59.99 -37.97 81.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.107 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.4 117.07 8.88 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 27.1 m120 -132.9 -56.36 0.93 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.372 -0.83 . . . . 0.0 110.649 -179.157 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.17 114.99 3.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.877 -1.14 . . . . 0.0 111.027 -178.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -102.25 129.32 48.63 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.496 -0.752 . . . . 0.0 109.427 178.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 69.35 19.34 74.23 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.154 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.43 22.81 0.12 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.935 -1.332 . . . . 0.0 109.275 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.17 107.87 1.64 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.185 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -108.04 11.96 27.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.159 -0.963 . . . . 0.0 110.481 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.647 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 57.4 mtp180 -139.88 24.37 2.39 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.903 -1.123 . . . . 0.0 108.981 177.408 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.75 152.51 33.97 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.04 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.81 63.03 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.095 -1.003 . . . . 0.0 109.157 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 156.74 42.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 109.703 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -131.45 133.62 45.36 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.73 115.66 28.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.727 -1.233 . . . . 0.0 108.877 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 12.2 t -109.57 121.17 44.61 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.466 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 98.3 t -123.44 85.1 52.47 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.11 65.17 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 123.169 2.58 . . . . 0.0 112.435 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.411 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 12.8 t90 -69.11 140.17 90.69 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.42 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.411 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 9.7 Cg_endo -53.08 147.41 34.35 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 CA-C-N 120.218 1.114 . . . . 0.0 110.259 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 8.8 t-20 -132.26 -32.01 1.4 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.32 -0.862 . . . . 0.0 108.825 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.35 122.51 35.83 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 76' ' ' SER . . . . . 0.411 ' OG ' ' OH ' ' B' ' 48' ' ' TYR . 1.4 m -86.15 101.1 12.69 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.552 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.69 133.53 34.38 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.48 0.657 . . . . 0.0 109.5 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' C' ' 78' ' ' THR . 12.2 t -96.47 112.26 59.48 Favored Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.97 -48.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.421 1.414 . . . . 0.0 114.217 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.35 -44.77 2.24 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.1 p90 -60.01 -52.96 63.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.153 -1.592 . . . . 0.0 112.333 -175.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 14.8 t-20 -79.05 -37.84 37.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 119.973 -1.705 . . . . 0.0 109.745 -179.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' C' ' 78' ' ' THR . 17.4 m120 -59.91 -48.44 81.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.791 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.93 -41.0 97.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.106 -0.996 . . . . 0.0 109.331 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 82.6 p -67.6 -40.01 84.77 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -63.79 -40.01 95.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.988 -1.07 . . . . 0.0 109.316 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.09 -40.8 90.85 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.921 -1.112 . . . . 0.0 109.002 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.24 -40.79 91.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 178.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.448 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.6 t90 -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.586 -0.696 . . . . 0.0 109.287 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.37 -42.47 98.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' C' ' 91' ' ' ARG . 42.2 mtt-85 -61.46 -40.55 94.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.908 . . . . 0.0 110.687 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -42.68 98.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.582 -1.324 . . . . 0.0 109.614 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -40.66 86.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.068 -1.02 . . . . 0.0 108.61 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.53 -43.23 97.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.4 -0.812 . . . . 0.0 110.635 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.5 -40.05 81.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.766 -1.209 . . . . 0.0 109.741 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.03 -40.22 82.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.13 -0.981 . . . . 0.0 108.868 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.09 -48.31 82.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 109.205 179.267 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.23 -39.99 96.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.412 -0.805 . . . . 0.0 109.371 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -68.62 -40.23 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 109.24 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -61.72 -41.07 97.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.053 -1.029 . . . . 0.0 109.616 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.94 75.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.186 -0.946 . . . . 0.0 109.503 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.193 -0.942 . . . . 0.0 109.495 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.08 -47.38 86.14 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.079 -1.013 . . . . 0.0 108.631 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -49.89 75.9 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 108.998 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -42.53 95.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 109.38 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.84 95.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 110.152 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.74 -44.12 97.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 109.46 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.98 -50.0 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.19 -0.944 . . . . 0.0 109.345 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.06 94.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.0 110.031 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -60.04 -49.71 76.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.226 -0.921 . . . . 0.0 109.611 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.13 -39.99 95.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.537 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.55 -39.99 95.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 109.769 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.33 -42.51 99.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.995 -1.066 . . . . 0.0 110.056 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.97 -40.07 83.22 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.098 -1.002 . . . . 0.0 108.304 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.04 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 0.0 109.073 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.23 -39.92 88.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.243 -0.91 . . . . 0.0 109.053 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -40.65 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.386 -0.821 . . . . 0.0 109.467 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -60.18 -40.77 91.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 109.607 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -59.93 -39.68 86.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.141 -0.974 . . . . 0.0 109.936 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . 0.403 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 94.0 mt -58.24 -47.9 82.09 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -126.06 63.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.99 145.3 36.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.507 -0.746 . . . . 0.0 109.422 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -88.3 62.81 6.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -62.86 -40.41 97.39 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.659 -0.651 . . . . 0.0 109.558 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.7 t -60.48 -42.54 96.49 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.158 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.1 tp -62.86 -42.52 99.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.337 -0.852 . . . . 0.0 109.141 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.05 -39.61 90.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.392 -0.818 . . . . 0.0 109.658 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.43 88.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 0.0 108.642 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.32 -46.29 64.81 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -48.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.466 -1.02 . . . . 0.0 109.478 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.05 -45.86 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.93 -39.94 91.35 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.022 -1.049 . . . . 0.0 109.553 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.78 -41.13 90.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -0.963 . . . . 0.0 109.604 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.914 -1.116 . . . . 0.0 109.436 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.03 -42.92 99.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.136 -0.977 . . . . 0.0 108.775 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.74 -42.03 98.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.302 -0.874 . . . . 0.0 109.256 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.93 -40.83 95.66 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.118 -0.988 . . . . 0.0 109.125 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -43.78 94.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -47.94 83.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.278 -0.889 . . . . 0.0 109.875 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.5 -41.1 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.175 -0.953 . . . . 0.0 109.559 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -45.49 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.248 -0.908 . . . . 0.0 109.018 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.66 -42.21 96.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.673 -0.642 . . . . 0.0 109.669 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' CZ ' ' OD1' ' B' ' 99' ' ' ASN . 48.9 mtt-85 -60.55 -39.95 89.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.632 -0.668 . . . . 0.0 109.774 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -59.79 -39.82 86.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 108.72 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.09 -48.18 82.79 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 108.822 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.66 -41.18 98.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.01 -40.15 94.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 108.989 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 31' ' ' THR . 19.3 mt -60.31 -40.21 89.76 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.58 -0.7 . . . . 0.0 109.36 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.52 -40.21 90.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.2 mt -62.19 -41.2 98.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.159 -0.963 . . . . 0.0 109.33 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 62.6 p -64.35 -40.06 95.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.275 -0.891 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.2 -40.5 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.0 108.948 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.05 -41.44 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.173 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -47.53 90.53 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -60.07 -49.38 77.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.265 . . . . 0.0 109.498 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -60.94 -40.05 91.81 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.352 -0.843 . . . . 0.0 109.763 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.676 HD22 ' NH2' ' A' ' 41' ' ' ARG . 60.4 t-20 -60.01 -40.36 88.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.635 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.09 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.96 -40.23 88.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 109.575 -179.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.2 p -59.98 -40.45 89.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.739 -1.225 . . . . 0.0 108.798 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' NH2' HD22 ' A' ' 37' ' ' ASN . 29.7 mtt-85 -63.98 -40.0 95.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 108.485 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.09 -41.65 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.083 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' THR . 73.6 p -61.14 -40.03 92.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.991 -1.068 . . . . 0.0 110.017 179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.31 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.085 -1.634 . . . . 0.0 108.999 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 45' ' ' ILE . 87.8 mt -64.02 -39.87 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.597 -0.689 . . . . 0.0 109.86 179.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -39.72 87.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 0.0 108.896 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.34 -41.29 93.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.113 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 46.6 m-85 -67.17 -38.79 86.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.861 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.92 -40.0 87.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.824 -1.172 . . . . 0.0 108.701 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -60.2 -39.77 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.692 -1.255 . . . . 0.0 108.354 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 57.9 t0 -60.08 -39.89 87.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.297 -0.877 . . . . 0.0 108.786 178.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.616 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.94 -39.84 86.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.28 -0.888 . . . . 0.0 108.864 -179.45 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.616 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -59.8 -36.43 76.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.999 -1.063 . . . . 0.0 108.672 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.96 -39.31 85.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.262 -0.899 . . . . 0.0 109.562 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -75.34 114.59 14.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.979 -1.076 . . . . 0.0 109.355 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -134.43 -70.15 0.51 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.427 -0.796 . . . . 0.0 109.813 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.67 87.71 1.72 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 108.782 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 60' ' ' ALA . 62.9 m95 -105.36 147.45 28.17 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.477 -0.765 . . . . 0.0 110.753 -179.348 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 62.85 5.19 8.59 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.344 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -74.15 23.56 0.08 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.737 -0.861 . . . . 0.0 109.033 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.0 114.96 3.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.447 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.92 12.59 20.8 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.196 -0.94 . . . . 0.0 110.729 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' CD ' HH21 ' C' ' 63' ' ' ARG . 62.6 mtt-85 -131.39 24.79 4.82 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.381 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -140.5 151.43 44.8 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.78 58.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.998 -1.063 . . . . 0.0 109.209 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.98 158.01 39.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.564 -0.71 . . . . 0.0 109.756 179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.64 134.49 49.64 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.7 t -97.62 120.25 37.66 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.129 -0.982 . . . . 0.0 110.697 -177.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 69' ' ' THR . 11.3 t -118.27 121.54 40.7 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -126.97 85.49 60.96 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.421 -0.799 . . . . 0.0 109.216 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -82.58 65.57 8.17 Favored 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.606 2.204 . . . . 0.0 112.007 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PRO . 26.8 t90 -69.9 134.94 87.68 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.463 -0.773 . . . . 0.0 109.088 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' TRP . 71.8 Cg_exo -39.47 149.04 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.542 1.495 . . . . 0.0 111.202 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 43.0 t30 -130.26 -60.06 1.02 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.596 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.76 125.49 34.46 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 t -80.09 112.37 17.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.931 -1.106 . . . . 0.0 108.306 -178.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.82 135.79 37.16 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.794 0.807 . . . . 0.0 109.955 -178.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 t -90.84 113.87 59.45 Favored Pre-proline 0 C--N 1.299 -1.606 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -91.88 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.511 1.474 . . . . 0.0 114.353 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -121.8 -43.78 2.35 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.106 -0.996 . . . . 0.0 113.336 -177.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.88 -48.08 83.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.684 -1.26 . . . . 0.0 112.78 -175.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.8 t30 -72.59 -46.82 52.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.091 -1.63 . . . . 0.0 110.177 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.0 -50.16 74.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 110.344 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.73 -45.63 93.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.917 -1.114 . . . . 0.0 109.362 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.4 p -68.43 -40.02 81.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.087 -1.008 . . . . 0.0 109.767 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.5 -40.11 92.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.974 -1.079 . . . . 0.0 109.265 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.1 -41.41 92.48 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.546 -1.346 . . . . 0.0 108.505 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.17 -43.18 96.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.467 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.3 t90 -60.29 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.59 -41.6 98.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -63.43 -40.67 97.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.078 -1.014 . . . . 0.0 110.379 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.34 -42.78 96.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.667 -1.27 . . . . 0.0 108.618 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.43 -40.91 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.388 -0.82 . . . . 0.0 109.133 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.91 -48.16 82.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.043 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -60.29 -45.36 93.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.924 -1.11 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.251 -0.906 . . . . 0.0 108.853 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.12 -47.63 85.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.303 -0.873 . . . . 0.0 109.423 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.62 -44.86 95.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.749 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.465 ' OD1' ' CZ ' ' C' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -40.97 96.75 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.591 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.17 -40.91 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.977 -1.077 . . . . 0.0 109.418 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.427 ' HG1' ' N ' ' A' ' 102' ' ' ALA . 40.8 p -62.4 -40.71 97.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.091 -1.006 . . . . 0.0 109.141 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.427 ' N ' ' HG1' ' A' ' 101' ' ' THR . . . -61.54 -48.02 82.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.455 179.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.05 -42.61 99.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.231 -0.918 . . . . 0.0 109.41 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.13 -46.1 91.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.867 . . . . 0.0 109.064 179.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.45 -49.44 77.57 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 109.199 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.58 -41.36 94.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.4 96.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.952 -1.093 . . . . 0.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.23 -47.45 85.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.18 -0.95 . . . . 0.0 109.243 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 109' ' ' ILE . 96.6 mt -59.96 -49.7 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.237 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -65.59 -40.1 92.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.378 -0.826 . . . . 0.0 109.357 -179.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.07 -48.23 82.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.372 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.99 -41.34 96.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.415 -0.803 . . . . 0.0 109.262 179.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.59 -40.74 97.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.021 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.32 -42.71 87.84 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 109.48 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.77 -40.22 76.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.051 -1.031 . . . . 0.0 108.981 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -60.3 -48.0 83.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.628 -0.67 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.43 -40.19 93.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.586 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.12 -41.73 93.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.547 -0.72 . . . . 0.0 109.602 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -61.9 -39.97 93.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.528 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.03 -39.08 84.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -0.946 . . . . 0.0 109.121 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.17 -47.95 83.4 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.103 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -123.97 62.39 1.08 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.0 p . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.039 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.18 145.36 35.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.575 -0.703 . . . . 0.0 109.448 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -88.38 62.99 6.9 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.314 -0.866 . . . . 0.0 108.942 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -63.23 -40.22 96.83 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.5 -0.75 . . . . 0.0 109.352 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.3 t -60.35 -42.46 95.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.9 tp -62.73 -42.79 99.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.481 -0.762 . . . . 0.0 109.014 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.06 -39.84 91.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.629 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.14 86.07 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.878 -1.139 . . . . 0.0 108.708 -179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -46.58 61.22 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 10' ' ' ILE . 96.9 mt -60.02 -49.14 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.466 -1.02 . . . . 0.0 109.479 179.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.36 -45.43 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.957 -1.089 . . . . 0.0 109.585 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.57 -39.81 89.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.26 -41.1 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.246 -0.909 . . . . 0.0 109.498 -178.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -62.08 -40.74 96.85 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.932 -1.105 . . . . 0.0 109.576 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -61.02 -42.82 99.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 108.714 179.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -62.11 -42.39 99.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.395 -0.816 . . . . 0.0 109.137 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.41 -40.84 96.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.991 -1.068 . . . . 0.0 109.157 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.34 -43.51 96.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.812 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.33 -47.93 83.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.0 t -60.29 -41.29 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.947 . . . . 0.0 109.395 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.15 -45.93 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.33 -0.856 . . . . 0.0 109.172 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.24 -42.56 95.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.641 -0.662 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.45 ' CZ ' ' OD1' ' C' ' 99' ' ' ASN . 49.3 mtt-85 -60.45 -39.46 87.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.512 -0.743 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -40.05 87.81 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.81 -48.2 82.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.092 -1.005 . . . . 0.0 108.856 179.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.5 -41.13 98.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.162 -0.961 . . . . 0.0 109.69 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 tp -62.28 -39.96 94.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.053 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.402 ' O ' ' OG1' ' B' ' 31' ' ' THR . 19.5 mt -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.36 90.56 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.202 -0.936 . . . . 0.0 109.2 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.463 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -62.19 -41.12 98.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.959 -1.088 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 64.7 p -64.45 -40.02 94.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.431 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.98 -40.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.0 109.007 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.2 -40.97 91.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.174 -0.954 . . . . 0.0 109.933 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.38 91.24 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.427 -1.368 . . . . 0.0 109.711 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.07 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.876 -1.367 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.3 -39.78 88.14 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.334 -0.854 . . . . 0.0 109.607 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.661 HD22 ' NH2' ' B' ' 41' ' ' ARG . 62.0 t-20 -60.31 -39.99 88.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.087 -1.008 . . . . 0.0 109.791 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.08 -39.94 87.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.874 -1.141 . . . . 0.0 109.071 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.07 -40.35 89.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.529 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.5 p -60.06 -40.28 88.93 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.744 -1.223 . . . . 0.0 108.814 -179.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.661 ' NH2' HD22 ' B' ' 37' ' ' ASN . 29.4 mtt-85 -63.96 -40.16 95.79 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.89 -42.16 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.455 -0.778 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 74.2 p -60.48 -40.22 90.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.972 . . . . 0.0 109.976 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.62 82.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.241 -1.537 . . . . 0.0 109.122 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.98 -39.9 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.52 -0.738 . . . . 0.0 109.895 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -39.56 87.57 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.234 -0.916 . . . . 0.0 108.73 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.087 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -66.44 -39.17 88.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.98 -39.88 87.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.845 -1.159 . . . . 0.0 108.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.94 -39.87 87.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.617 -1.302 . . . . 0.0 108.136 178.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 51' ' ' ASP . 56.4 t0 -60.15 -39.84 87.77 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.76 -39.76 85.89 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.381 -0.824 . . . . 0.0 108.984 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.618 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.94 -36.74 77.7 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.935 -1.103 . . . . 0.0 108.759 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.82 -39.82 86.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.356 -0.84 . . . . 0.0 109.437 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.59 114.26 12.8 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.648 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -134.36 -70.37 0.51 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.855 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.36 87.85 1.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.288 -0.883 . . . . 0.0 108.697 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' B' ' 60' ' ' ALA . 63.1 m95 -105.51 147.11 28.7 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.11 4.6 8.18 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 179.357 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -73.91 23.78 0.08 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.729 -0.865 . . . . 0.0 109.071 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.547 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.1 114.79 3.15 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.819 . . . . 0.0 109.384 179.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.83 12.72 20.94 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.313 -0.867 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.449 ' CD ' HH21 ' A' ' 63' ' ' ARG . 62.3 mtt-85 -131.46 25.06 4.8 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -140.74 151.3 44.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.65 58.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.784 -1.198 . . . . 0.0 109.064 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 157.88 39.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.406 -0.809 . . . . 0.0 109.399 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.71 134.6 49.57 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -97.63 120.29 37.73 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.194 -0.941 . . . . 0.0 110.672 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' B' ' 69' ' ' THR . 12.0 t -118.12 121.59 40.93 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.44 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t -126.61 85.16 61.02 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 109.234 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.32 65.28 8.31 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 122.578 2.186 . . . . 0.0 112.039 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.409 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 29.5 t90 -69.81 135.26 87.84 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.4 -0.812 . . . . 0.0 109.201 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.409 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 72.5 Cg_exo -39.36 148.64 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.244 0 C-N-CA 121.563 1.508 . . . . 0.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 43.8 t30 -129.98 -60.14 1.03 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.59 125.32 34.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -79.97 112.37 17.21 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.322 -178.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.3 mt -78.73 135.81 37.24 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.551 0.691 . . . . 0.0 109.82 -178.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -90.98 113.72 59.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.29 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -91.82 -48.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.566 1.511 . . . . 0.0 114.38 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.06 -43.69 2.32 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.208 -0.932 . . . . 0.0 113.499 -176.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.643 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.89 -47.94 83.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.57 -1.331 . . . . 0.0 112.678 -176.003 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.643 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 62.2 t30 -72.85 -46.92 50.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.124 -1.61 . . . . 0.0 110.126 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.87 -50.08 75.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 110.395 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.08 -44.9 96.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.916 -1.115 . . . . 0.0 109.46 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 53.9 p -68.91 -39.95 79.37 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.328 -0.858 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -65.77 -39.98 91.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.874 -1.141 . . . . 0.0 109.254 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -60.03 -41.35 92.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.689 -1.257 . . . . 0.0 108.442 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.34 -42.83 96.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.9 t90 -60.47 -49.21 78.47 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 179.038 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.67 -41.08 98.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.906 . . . . 0.0 109.937 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -63.66 -40.24 96.36 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.171 -0.956 . . . . 0.0 110.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.76 -42.57 97.69 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.514 -1.275 . . . . 0.0 108.786 179.215 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.58 -41.16 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.27 -0.894 . . . . 0.0 108.92 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.8 t0 -60.01 -47.61 85.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.503 -0.748 . . . . 0.0 110.028 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.71 -45.25 94.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.776 -1.202 . . . . 0.0 109.613 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.46 -42.79 95.74 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.069 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.6 -48.15 83.07 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.301 -0.874 . . . . 0.0 109.238 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.23 -44.38 95.24 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.376 -0.827 . . . . 0.0 109.623 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.453 HD21 ' C ' ' B' ' 99' ' ' ASN . 0.3 OUTLIER -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.303 -0.873 . . . . 0.0 109.47 -179.489 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 100' ' ' ILE . 83.1 mt -65.18 -41.24 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' THR . . . . . 0.424 ' HG1' ' N ' ' B' ' 102' ' ' ALA . 41.0 p -62.24 -40.86 97.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.928 -1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.424 ' N ' ' HG1' ' B' ' 101' ' ' THR . . . -61.52 -47.91 83.43 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.4 -0.813 . . . . 0.0 109.527 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.79 -43.19 99.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.214 -0.929 . . . . 0.0 109.099 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.47 -46.53 89.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.96 -49.65 76.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 0.0 109.399 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.79 -40.97 94.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.71 98.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.005 -1.06 . . . . 0.0 109.358 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.18 -47.47 85.82 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.091 -1.006 . . . . 0.0 109.116 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.423 HG22 HD11 ' B' ' 109' ' ' ILE . 96.6 mt -60.1 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.074 -1.016 . . . . 0.0 109.286 179.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -65.24 -39.96 93.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.57 -0.706 . . . . 0.0 109.842 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -59.89 -48.41 81.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.403 -0.81 . . . . 0.0 108.965 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.02 -40.97 95.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.119 -0.988 . . . . 0.0 109.492 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.44 -40.81 97.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.32 -42.96 87.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.0 109.809 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 16.0 ttt -69.62 -40.3 76.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.276 -0.89 . . . . 0.0 108.797 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.03 -48.22 82.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.345 -0.847 . . . . 0.0 109.425 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.43 -40.14 93.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.033 -1.042 . . . . 0.0 109.669 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.25 -41.55 93.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.459 -0.776 . . . . 0.0 109.733 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.0 mt-30 -61.78 -39.92 93.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.552 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.12 -39.45 86.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.45 -0.781 . . . . 0.0 109.216 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.36 -47.33 85.83 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -124.19 62.58 1.09 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.437 -0.79 . . . . 0.0 109.067 178.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.08 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.16 145.65 35.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.372 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -88.44 62.91 6.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.384 -0.823 . . . . 0.0 108.797 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.06 -40.13 96.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.552 -0.717 . . . . 0.0 109.229 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.48 -43.07 97.36 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.105 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' C' ' 5' ' ' THR . 58.9 tp -62.4 -42.86 99.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.299 -0.876 . . . . 0.0 109.105 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.74 -39.96 90.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.72 -46.25 61.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.626 -1.79 . . . . 0.0 108.626 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -49.14 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.583 -0.951 . . . . 0.0 109.555 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.09 -45.62 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.134 -0.979 . . . . 0.0 109.286 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.6 -39.65 88.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.086 . . . . 0.0 109.717 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.13 -41.55 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.395 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.75 -40.89 96.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.927 -1.108 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -61.37 -42.5 98.81 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.035 -1.041 . . . . 0.0 108.7 179.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.13 -41.73 98.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.289 -0.882 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.93 -41.19 95.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.344 -0.847 . . . . 0.0 109.093 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.1 -43.48 95.53 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.24 -48.21 82.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.306 -0.871 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.08 -41.09 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 109.487 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.92 -46.15 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 108.96 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.11 -42.51 94.89 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.526 0.679 . . . . 0.0 109.762 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.465 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 50.5 mtt-85 -60.82 -39.67 89.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.685 -0.635 . . . . 0.0 109.732 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -39.77 86.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.116 -0.99 . . . . 0.0 108.67 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.16 -48.09 83.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 108.835 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.61 -41.19 98.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.747 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.16 -40.23 95.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 108.685 179.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.22 -40.06 88.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.448 -0.782 . . . . 0.0 109.318 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.22 -40.29 89.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.307 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.3 mt -62.31 -41.81 98.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.129 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -63.82 -39.88 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.084 -1.01 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.26 -40.31 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 108.928 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.1 -41.5 92.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 0.0 110.245 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.66 -47.24 91.9 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.38 -49.95 75.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.893 -1.357 . . . . 0.0 109.462 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.429 -0.795 . . . . 0.0 109.585 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.653 HD22 ' NH2' ' C' ' 41' ' ' ARG . 60.0 t-20 -60.19 -40.46 90.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 109.79 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.18 -39.96 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.022 -1.049 . . . . 0.0 109.013 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.93 -40.05 87.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.979 -1.076 . . . . 0.0 109.63 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' C' ' 43' ' ' THR . 58.1 p -60.1 -40.27 89.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.717 -1.239 . . . . 0.0 108.722 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.653 ' NH2' HD22 ' C' ' 37' ' ' ASN . 28.6 mtt-85 -64.08 -39.99 95.27 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.18 -41.47 86.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.333 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' C' ' 40' ' ' THR . 72.0 p -61.31 -40.05 92.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.917 -1.114 . . . . 0.0 110.057 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.65 81.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.339 -1.476 . . . . 0.0 108.891 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.42 HD11 HG22 ' C' ' 45' ' ' ILE . 85.6 mt -63.65 -40.1 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 109.86 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -39.8 87.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.097 -1.002 . . . . 0.0 108.841 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.05 -41.65 92.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.344 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 47.2 m-85 -66.98 -38.95 87.0 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.367 -0.833 . . . . 0.0 109.695 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.12 -39.9 87.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.89 -1.131 . . . . 0.0 108.497 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.89 -40.01 87.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.563 -1.335 . . . . 0.0 108.378 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -60.12 -39.77 87.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.296 -0.878 . . . . 0.0 108.722 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.53 -40.01 85.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.125 -0.984 . . . . 0.0 109.059 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.96 -36.45 77.14 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.955 -1.091 . . . . 0.0 108.758 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.97 -39.78 86.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.065 -1.022 . . . . 0.0 109.338 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 74.1 mt -74.6 114.28 12.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.832 -1.168 . . . . 0.0 109.643 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -134.12 -70.14 0.52 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -0.909 . . . . 0.0 109.92 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.41 87.88 1.75 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.442 -0.786 . . . . 0.0 108.913 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.431 ' C ' ' H ' ' C' ' 60' ' ' ALA . 64.0 m95 -105.42 147.67 27.99 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.518 -0.739 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 62.83 4.48 7.32 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -73.57 23.81 0.07 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.462 -1.022 . . . . 0.0 109.388 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.48 114.98 3.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -111.88 12.62 20.86 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 121.374 -0.829 . . . . 0.0 110.835 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.482 HH21 ' CD ' ' A' ' 63' ' ' ARG . 62.5 mtt-85 -131.45 24.74 4.8 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.267 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -140.38 151.61 45.1 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.58 57.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 120.878 -1.139 . . . . 0.0 109.101 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 157.89 39.65 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 0.0 109.833 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -127.37 134.12 49.97 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -97.65 120.33 37.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.222 -0.924 . . . . 0.0 110.779 -178.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -118.74 121.67 40.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.79 85.61 60.42 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.371 -0.831 . . . . 0.0 109.264 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.44 65.66 8.22 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.472 2.115 . . . . 0.0 111.96 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' C' ' 73' ' ' PRO . 27.2 t90 -69.94 134.81 87.65 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.142 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.4 Cg_exo -39.32 148.63 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.49 1.46 . . . . 0.0 111.529 179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 42.9 t30 -129.96 -60.01 1.04 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.583 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 125.4 34.46 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.5 t -80.02 112.41 17.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.323 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.8 135.95 37.22 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.725 0.774 . . . . 0.0 109.821 -178.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 7.4 t -91.09 113.65 58.95 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.59 -48.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.81 1.674 . . . . 0.0 114.43 -179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -121.77 -43.71 2.35 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -59.91 -48.04 83.3 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.432 -1.418 . . . . 0.0 112.752 -175.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.7 t30 -72.4 -46.8 53.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.082 -1.636 . . . . 0.0 110.161 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -60.18 -49.99 75.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.897 -1.127 . . . . 0.0 110.469 -178.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.18 -44.88 96.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.957 -1.089 . . . . 0.0 109.433 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 45.5 p -68.83 -40.04 79.65 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.12 -0.987 . . . . 0.0 109.792 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -65.38 -39.98 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.976 -1.078 . . . . 0.0 109.41 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.15 -42.14 94.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.814 -1.179 . . . . 0.0 108.297 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -42.91 95.6 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.463 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.2 t90 -60.06 -49.43 77.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.081 178.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.97 -42.78 99.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.709 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -62.11 -40.89 97.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 110.401 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.57 -42.71 97.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.614 -1.304 . . . . 0.0 108.948 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.6 -40.79 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.3 -0.875 . . . . 0.0 108.857 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.1 -48.12 83.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.865 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -60.3 -45.46 93.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.927 -1.108 . . . . 0.0 109.597 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.3 -42.82 96.18 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.942 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.1 -44.06 95.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.454 -0.779 . . . . 0.0 109.701 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.45 ' OD1' ' CZ ' ' B' ' 23' ' ' ARG . 0.4 OUTLIER -64.92 -40.97 95.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 109.481 -179.644 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 100' ' ' ILE . 83.7 mt -65.07 -40.74 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.47 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 101' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' C' ' 102' ' ' ALA . 40.8 p -62.81 -40.67 98.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.993 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . 0.413 ' N ' ' HG1' ' C' ' 101' ' ' THR . . . -61.42 -48.69 80.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.296 -0.878 . . . . 0.0 109.446 179.371 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -43.56 98.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.14 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -46.57 89.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.117 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.1 -49.77 76.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.806 . . . . 0.0 109.315 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.23 -41.38 92.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.419 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.7 97.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.863 . . . . 0.0 109.622 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.09 -47.61 85.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.353 -0.842 . . . . 0.0 109.243 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.408 HG22 HD11 ' C' ' 109' ' ' ILE . 96.4 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.198 -0.939 . . . . 0.0 109.21 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -65.05 -40.15 94.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.39 -0.819 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -60.06 -48.72 80.56 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.32 -0.863 . . . . 0.0 109.123 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.42 -41.16 93.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.066 -1.021 . . . . 0.0 109.506 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.38 -40.84 97.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.979 -1.075 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -66.57 -42.64 86.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.808 -1.182 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 15.8 ttt -69.83 -40.12 76.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.269 -0.895 . . . . 0.0 108.831 179.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.14 -47.99 83.58 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.405 -0.809 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.48 -40.28 94.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.947 -1.096 . . . . 0.0 109.402 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.11 -41.07 91.82 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 109.781 -179.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.082 -1.011 . . . . 0.0 109.644 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.79 -38.86 83.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.294 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.62 -47.53 85.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -123.73 62.17 1.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.0 p . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.52 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.9 mt-30 -75.44 144.99 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.138 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -88.32 58.41 4.72 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.139 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -65.06 -40.0 94.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.569 -0.707 . . . . 0.0 109.662 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -60.5 -42.49 96.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.188 -0.945 . . . . 0.0 109.287 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.45 -40.68 96.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.991 -1.068 . . . . 0.0 108.917 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.79 -40.02 93.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.331 -0.856 . . . . 0.0 109.733 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.92 93.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.872 -1.143 . . . . 0.0 109.087 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.26 81.12 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -48.92 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -1.073 . . . . 0.0 109.475 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.95 -43.54 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.111 -0.993 . . . . 0.0 108.998 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -60.15 -39.96 88.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.9 tp-100 -60.29 -41.51 93.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 109.813 -179.339 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.36 -41.84 94.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.008 -1.057 . . . . 0.0 109.472 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.36 -42.61 96.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.344 -0.848 . . . . 0.0 109.141 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.6 mt-30 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.707 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.01 -41.48 99.57 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.407 -0.808 . . . . 0.0 109.25 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.42 -40.86 95.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.268 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -48.58 81.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.98 -41.25 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.969 . . . . 0.0 109.644 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.19 -44.91 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.4 -41.69 94.4 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.517 -0.74 . . . . 0.0 109.014 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.575 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 42.7 mtt-85 -61.57 -40.4 94.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.318 -0.864 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.995 -1.066 . . . . 0.0 109.417 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.07 -48.98 79.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 0.0 109.491 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.89 -40.59 96.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.154 -0.966 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.25 -40.7 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.209 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' A' ' 31' ' ' THR . 18.1 mt -60.11 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.414 -0.804 . . . . 0.0 109.195 179.265 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -40.22 88.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.87 -1.144 . . . . 0.0 109.516 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.0 mt -60.9 -42.84 98.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.254 179.48 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 82.0 p -61.86 -40.08 94.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.14 -0.975 . . . . 0.0 109.48 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.23 -40.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.777 . . . . 0.0 109.08 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.05 -43.25 95.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.577 -0.702 . . . . 0.0 110.084 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -47.44 91.01 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.363 -1.399 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.97 -49.83 76.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.756 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.63 -39.93 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 109.302 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.596 HD22 ' NH2' ' A' ' 41' ' ' ARG . 44.6 t-20 -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.126 -0.984 . . . . 0.0 109.739 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.28 -39.94 88.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.057 -1.027 . . . . 0.0 109.291 178.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -59.78 -40.01 86.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.203 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 62.6 p -60.22 -40.21 89.34 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.008 -1.057 . . . . 0.0 108.259 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.599 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 28.7 mtt-85 -64.51 -40.16 95.12 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.93 -41.31 88.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.549 -0.719 . . . . 0.0 109.361 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 40' ' ' THR . 49.1 p -59.65 -40.28 87.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.888 -1.132 . . . . 0.0 109.317 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.8 96.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.149 -0.969 . . . . 0.0 108.975 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.22 -39.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.732 -0.605 . . . . 0.0 109.634 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.87 -40.27 88.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.259 -0.901 . . . . 0.0 109.185 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.92 -41.78 96.83 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.385 -0.822 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 60.1 m-85 -69.52 -38.32 77.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.146 -0.971 . . . . 0.0 110.063 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.836 -1.165 . . . . 0.0 108.148 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.03 -40.65 90.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.771 -1.206 . . . . 0.0 108.169 178.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 60.2 t0 -60.17 -39.61 87.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.504 -0.747 . . . . 0.0 109.112 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.62 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.11 -40.08 84.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 108.636 -179.407 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.62 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.92 . . . . 0.0 109.21 179.246 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 109.009 -179.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.09 113.82 11.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.795 -1.191 . . . . 0.0 108.895 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 25.4 m120 -133.07 -62.32 0.8 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.178 -0.951 . . . . 0.0 109.098 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.94 86.78 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -104.13 140.08 38.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.588 -0.695 . . . . 0.0 110.018 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.548 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 69.65 1.94 33.32 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.477 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.14 23.55 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.604 -0.939 . . . . 0.0 109.703 -179.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.548 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.56 112.9 2.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.026 -1.046 . . . . 0.0 109.506 179.32 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -108.89 13.14 25.02 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.394 -0.816 . . . . 0.0 109.531 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -123.27 21.93 9.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.362 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.588 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.07 151.78 36.26 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.051 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.15 61.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.056 -1.027 . . . . 0.0 108.894 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.0 157.78 41.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.301 -0.875 . . . . 0.0 109.761 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -126.49 132.82 51.33 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -99.62 121.38 41.12 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.263 -0.898 . . . . 0.0 110.896 -177.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.1 t -113.19 121.31 44.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.435 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 95.6 t -127.18 90.99 47.68 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.4 -0.812 . . . . 0.0 109.737 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.07 68.11 6.74 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.445 2.097 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 53.7 t90 -68.12 132.77 91.79 Favored Pre-proline 0 N--CA 1.49 1.526 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.443 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.6 Cg_exo -38.16 148.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 121.333 1.355 . . . . 0.0 111.248 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 53.4 t30 -130.41 -60.24 1.0 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 109.39 -179.079 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.49 125.14 34.13 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -80.85 109.47 15.45 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.219 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.49 136.43 36.31 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 t -87.44 115.93 64.45 Favored Pre-proline 0 N--CA 1.49 1.546 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 21.9 Cg_endo -93.22 -47.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.478 1.452 . . . . 0.0 114.287 -179.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -121.79 -44.63 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.32 -0.862 . . . . 0.0 113.304 -177.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -59.84 -49.59 77.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.524 -1.36 . . . . 0.0 112.672 -175.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.5 t30 -71.64 -40.5 69.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.043 -1.661 . . . . 0.0 110.236 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 79' ' ' PRO . 91.7 m-20 -59.96 -50.24 74.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.033 -1.042 . . . . 0.0 110.715 -178.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.97 -1.081 . . . . 0.0 109.519 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.5 p -69.4 -39.97 77.64 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.185 -0.947 . . . . 0.0 109.629 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -67.09 -40.05 86.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.072 -1.017 . . . . 0.0 108.955 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -41.73 93.3 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.876 -1.14 . . . . 0.0 108.565 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.125 -0.984 . . . . 0.0 108.756 178.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -60.21 -49.0 79.36 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.17 -42.13 99.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.9 mtt-85 -61.82 -41.58 97.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.336 -179.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.16 -44.28 95.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.71 -40.45 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.419 -0.8 . . . . 0.0 109.47 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.44 -43.81 96.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.55 -0.719 . . . . 0.0 110.564 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -67.5 -40.39 85.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.439 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -41.47 97.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -44.84 89.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.867 -1.146 . . . . 0.0 109.194 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -48.81 80.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.236 -0.915 . . . . 0.0 109.307 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.58 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 34.5 t-20 -60.31 -46.64 89.16 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.397 -0.814 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.08 -43.97 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 p -60.92 -42.3 97.84 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 0.0 109.726 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.51 85.86 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.564 179.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.78 -42.47 99.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.192 -0.943 . . . . 0.0 109.267 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.35 -48.8 80.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.271 -0.893 . . . . 0.0 108.982 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.08 -46.11 90.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 0.0 109.409 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -64.36 -40.18 95.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.341 -0.849 . . . . 0.0 109.094 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.58 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -49.52 77.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.167 -0.958 . . . . 0.0 109.088 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.2 -50.05 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.302 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.58 -42.28 98.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.387 -0.821 . . . . 0.0 109.376 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.16 -49.05 79.15 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.73 -41.34 97.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -0.828 . . . . 0.0 109.4 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.68 -41.69 99.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.0 109.157 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.54 -45.03 92.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.15 -0.969 . . . . 0.0 109.19 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.2 ttp -65.01 -40.09 94.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.304 -0.872 . . . . 0.0 108.675 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -60.67 -44.88 95.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.54 -0.725 . . . . 0.0 109.693 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.52 -40.7 92.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.018 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.66 -40.57 92.54 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -62.84 -40.0 96.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 110.308 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -60.43 -39.53 87.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 108.997 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.75 -47.52 84.37 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -126.85 61.22 1.34 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.103 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.8 mt-30 -75.46 144.74 41.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.07 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -88.57 57.98 4.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.086 -1.009 . . . . 0.0 108.99 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -64.51 -39.85 94.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.38 -0.825 . . . . 0.0 109.507 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.1 t -60.42 -43.01 97.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 0.0 109.283 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' B' ' 5' ' ' THR . 61.4 tp -63.82 -40.95 97.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.973 . . . . 0.0 108.845 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.55 -39.58 91.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.28 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.913 -1.117 . . . . 0.0 109.059 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.63 -46.41 84.36 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -48.85 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.502 -0.999 . . . . 0.0 109.509 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.81 -43.28 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 108.964 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.5 -40.5 91.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.265 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -41.62 92.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.747 -179.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.24 -42.19 94.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.84 -1.163 . . . . 0.0 109.499 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.01 -43.45 95.23 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.02 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.699 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.35 -41.95 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.34 -0.85 . . . . 0.0 109.328 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.46 -40.63 95.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.908 . . . . 0.0 109.4 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.03 -48.28 82.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.113 -0.992 . . . . 0.0 109.84 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.19 -41.08 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.941 -1.1 . . . . 0.0 109.593 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -45.2 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.922 . . . . 0.0 109.287 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.04 -41.63 92.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.586 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 42.4 mtt-85 -62.15 -40.21 95.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.53 -0.731 . . . . 0.0 109.591 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.12 -39.78 87.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.078 -1.014 . . . . 0.0 109.413 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -60.24 -48.85 79.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 109.52 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.13 -40.72 96.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.985 -1.072 . . . . 0.0 109.471 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -60.93 -40.37 92.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.293 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' B' ' 31' ' ' THR . 18.0 mt -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.819 . . . . 0.0 109.327 179.154 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.48 90.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.934 -1.103 . . . . 0.0 109.302 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.412 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -60.82 -42.37 97.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.084 -1.01 . . . . 0.0 109.193 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 81.5 p -62.57 -40.09 95.76 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.869 . . . . 0.0 109.511 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.17 -40.09 82.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.477 -0.764 . . . . 0.0 108.955 179.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.28 -42.83 96.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 110.138 -179.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.8 89.22 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.12 -49.86 75.98 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.948 -1.325 . . . . 0.0 109.912 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.24 -39.96 96.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.085 -1.01 . . . . 0.0 109.455 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.606 HD22 ' NH2' ' B' ' 41' ' ' ARG . 45.1 t-20 -59.89 -40.21 87.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 109.524 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.23 -39.75 87.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 109.347 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.13 -39.97 88.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.212 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.439 ' O ' ' OG1' ' B' ' 43' ' ' THR . 56.6 p -60.77 -40.07 91.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.431 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.606 ' NH2' HD22 ' B' ' 37' ' ' ASN . 28.3 mtt-85 -64.41 -40.08 95.09 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.36 -41.62 87.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.527 -0.733 . . . . 0.0 109.116 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 40' ' ' THR . 63.4 p -59.82 -40.04 87.11 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.481 -179.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.19 94.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 178.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -59.94 -39.82 81.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.748 -0.595 . . . . 0.0 109.759 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.01 -40.09 88.07 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -178.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.17 -41.86 97.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.448 -0.783 . . . . 0.0 109.665 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.31 -38.25 78.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 110.231 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.09 -40.07 88.35 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.93 -1.106 . . . . 0.0 108.282 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.1 -40.55 90.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.566 -1.334 . . . . 0.0 107.89 178.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.06 -39.77 87.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.466 -0.771 . . . . 0.0 108.988 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.07 -39.95 83.71 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.098 -1.001 . . . . 0.0 109.003 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.636 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.35 -35.16 75.03 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.37 -39.82 84.53 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.284 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.59 113.95 12.44 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 108.812 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.5 m120 -132.87 -62.46 0.81 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.31 -0.869 . . . . 0.0 109.208 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.53 86.38 1.47 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.016 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -103.96 140.2 38.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.687 -0.633 . . . . 0.0 109.908 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.37 1.85 30.68 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 179.476 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.14 23.56 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.456 -1.026 . . . . 0.0 109.834 -179.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.52 112.82 2.77 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.109 -0.994 . . . . 0.0 109.548 179.53 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -109.32 13.1 24.42 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.451 -0.781 . . . . 0.0 109.509 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.529 ' O ' ' CD ' ' B' ' 63' ' ' ARG . 0.3 OUTLIER -123.26 21.93 9.48 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.435 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.601 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -148.26 151.74 35.95 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.07 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.97 61.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.993 -1.067 . . . . 0.0 109.032 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.72 157.92 41.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.192 -0.943 . . . . 0.0 109.778 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -126.46 133.0 51.32 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.4 t -100.01 121.4 41.3 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.881 0.848 . . . . 0.0 110.78 -177.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 8.3 t -113.38 121.84 45.56 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.423 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 93.3 t -127.03 91.09 47.74 Favored Pre-proline 0 N--CA 1.501 2.105 0 O-C-N 121.358 -0.839 . . . . 0.0 109.753 -179.57 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -83.84 68.3 6.87 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.54 2.16 . . . . 0.0 112.521 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 50.2 t90 -68.43 132.57 91.3 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 78.3 Cg_exo -38.05 148.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.319 1.346 . . . . 0.0 111.401 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 51.0 t30 -130.04 -60.22 1.03 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.332 -0.855 . . . . 0.0 109.429 -179.292 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.15 34.08 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.8 t -81.09 109.88 16.07 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 118.808 -1.157 . . . . 0.0 108.208 -179.034 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 mt -80.94 136.41 36.03 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.434 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -87.55 116.22 65.44 Favored Pre-proline 0 C--N 1.301 -1.52 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.438 ' O ' ' ND2' ' B' ' 83' ' ' ASN . 18.6 Cg_endo -93.58 -47.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.573 1.516 . . . . 0.0 114.25 -179.703 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -122.04 -44.3 2.3 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.4 p90 -60.23 -49.81 76.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.578 -1.327 . . . . 0.0 112.468 -175.841 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.9 t30 -71.75 -40.31 69.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.078 -1.639 . . . . 0.0 110.17 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 79' ' ' PRO . 91.6 m-20 -60.0 -50.08 75.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.975 . . . . 0.0 110.609 -178.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.18 -46.63 89.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.908 -1.12 . . . . 0.0 109.453 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 48.2 p -69.48 -40.09 77.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.979 -1.075 . . . . 0.0 109.658 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -67.0 -39.87 87.2 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.089 -1.044 . . . . 0.0 109.115 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.17 -42.06 94.18 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.79 -1.194 . . . . 0.0 108.468 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.48 -40.25 90.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.09 -1.006 . . . . 0.0 108.804 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.41 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -59.95 -49.95 75.68 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.28 -42.3 99.23 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.332 -0.855 . . . . 0.0 110.034 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -61.81 -41.24 97.52 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.954 -1.092 . . . . 0.0 110.391 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -60.29 -44.12 95.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.96 -1.088 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.97 -40.4 87.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.285 -0.885 . . . . 0.0 109.11 179.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.26 -44.0 95.66 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.613 -0.679 . . . . 0.0 110.536 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -67.66 -39.91 84.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.801 -1.187 . . . . 0.0 109.622 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.66 -41.18 96.27 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.174 -0.954 . . . . 0.0 109.04 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.67 -44.43 90.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.127 . . . . 0.0 109.437 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.11 -49.19 78.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.367 -0.833 . . . . 0.0 109.258 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.575 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 34.5 t-20 -60.22 -46.55 89.36 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.462 -0.773 . . . . 0.0 109.373 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.21 -43.89 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.438 -0.789 . . . . 0.0 109.789 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 22.9 p -60.86 -42.46 97.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.901 -1.124 . . . . 0.0 109.658 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.44 90.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.731 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.6 -42.23 99.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.246 -0.909 . . . . 0.0 109.226 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.22 -49.2 78.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.271 -0.893 . . . . 0.0 109.162 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -45.62 92.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -64.52 -39.98 94.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.0 109.205 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.47 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.238 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.31 -50.0 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.213 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.05 -42.01 98.74 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.296 -0.877 . . . . 0.0 109.305 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.05 -49.39 77.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 108.603 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.21 -41.75 97.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -62.4 -42.01 99.11 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.012 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -62.73 -45.79 91.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.218 -0.926 . . . . 0.0 109.082 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.45 -40.26 95.37 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.282 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.17 -45.61 92.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.576 -0.702 . . . . 0.0 109.513 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.3 -40.71 91.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.349 -0.844 . . . . 0.0 109.021 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.05 -40.22 92.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.01 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 0.0 109.812 -179.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -59.93 -39.93 87.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.986 -1.071 . . . . 0.0 109.115 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.94 -47.39 85.22 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -126.6 61.32 1.32 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.543 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.158 -0.964 . . . . 0.0 109.005 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.507 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.5 mt-30 -75.62 145.21 41.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.323 -0.861 . . . . 0.0 109.176 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -88.23 58.37 4.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.901 -1.124 . . . . 0.0 109.056 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.63 -40.28 95.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.359 -0.838 . . . . 0.0 109.456 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.25 -42.8 96.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' C' ' 5' ' ' THR . 62.6 tp -64.26 -40.42 95.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.925 -1.11 . . . . 0.0 108.861 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.03 -39.71 93.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 109.743 179.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.56 93.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.835 -1.166 . . . . 0.0 109.114 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.98 80.67 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 179.12 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -48.87 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.46 -1.023 . . . . 0.0 109.495 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.27 -43.57 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.793 -1.192 . . . . 0.0 108.918 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -60.26 -40.01 88.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.037 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -41.51 92.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.09 -42.14 94.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.912 -1.118 . . . . 0.0 109.598 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.01 -43.33 95.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.452 -0.78 . . . . 0.0 109.168 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.38 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.333 -0.854 . . . . 0.0 109.641 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.76 -41.61 99.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.836 . . . . 0.0 109.183 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.33 -40.78 95.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.246 -0.909 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.27 -48.51 81.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.909 . . . . 0.0 109.667 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.2 -40.78 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.117 -0.989 . . . . 0.0 109.593 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.36 -45.11 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.0 109.28 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.06 -41.28 92.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.58 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 43.5 mtt-85 -62.27 -39.91 94.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.555 -0.716 . . . . 0.0 109.622 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.206 -0.934 . . . . 0.0 109.3 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.68 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.522 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.34 -40.7 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.077 -1.015 . . . . 0.0 109.453 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.22 -40.22 93.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.421 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.2 -39.95 88.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.0 109.031 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.52 -40.19 90.57 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.995 -1.066 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.78 -42.42 97.51 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 179.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 80.9 p -62.5 -40.08 95.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.303 -0.873 . . . . 0.0 109.422 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.34 -39.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -60.01 -43.25 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.446 -0.784 . . . . 0.0 110.314 -179.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.74 89.53 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.858 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -60.05 -49.93 75.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.973 -1.31 . . . . 0.0 109.856 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.09 -40.04 96.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.289 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.589 HD22 ' NH2' ' C' ' 41' ' ' ARG . 45.5 t-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.106 -0.996 . . . . 0.0 109.627 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.51 -39.7 88.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 179.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -59.58 -40.51 87.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.058 -1.026 . . . . 0.0 109.144 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' C' ' 43' ' ' THR . 64.3 p -60.02 -40.4 89.16 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.584 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.589 ' NH2' HD22 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -64.46 -40.11 95.09 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.8 -40.91 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' C' ' 40' ' ' THR . 51.4 p -60.22 -40.0 88.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.921 -1.112 . . . . 0.0 109.221 -179.359 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.3 94.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 108.893 179.05 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.24 -39.64 81.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.639 -0.663 . . . . 0.0 109.703 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -40.37 88.86 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.132 -0.98 . . . . 0.0 108.956 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.6 -41.75 95.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 60.0 m-85 -69.74 -38.11 76.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.174 -0.954 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.83 -40.05 87.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.969 -1.082 . . . . 0.0 108.253 179.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -60.1 -40.19 88.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.684 -1.26 . . . . 0.0 108.155 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.28 -39.66 87.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 109.007 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.627 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.18 -39.91 84.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 108.871 -179.6 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.627 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.43 -35.57 76.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 109.199 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.48 -39.95 85.37 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 109.049 -178.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.81 113.6 11.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.923 -1.111 . . . . 0.0 108.765 179.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 25.7 m120 -132.9 -62.88 0.79 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.239 -0.913 . . . . 0.0 109.157 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.2 86.48 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -104.13 140.41 37.83 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.537 -0.727 . . . . 0.0 109.98 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.535 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 69.28 1.59 28.67 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.05 23.38 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.584 -0.951 . . . . 0.0 109.7 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.535 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.16 112.68 2.85 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.965 -1.085 . . . . 0.0 109.583 179.261 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -108.96 13.19 24.88 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.35 -0.844 . . . . 0.0 109.449 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.519 ' O ' ' CD ' ' C' ' 63' ' ' ARG . 0.3 OUTLIER -123.31 21.87 9.46 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 178.575 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.591 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.38 151.4 35.22 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.053 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -107.54 61.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.157 -0.964 . . . . 0.0 108.871 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.56 157.79 41.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -126.69 132.92 51.05 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.8 t -99.89 121.42 41.29 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.369 -0.832 . . . . 0.0 111.054 -177.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 8.2 t -113.11 121.26 44.03 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.422 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 91.2 t -126.72 90.59 49.33 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -83.87 68.51 6.8 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.383 2.055 . . . . 0.0 112.554 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.462 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 51.8 t90 -68.6 132.44 91.06 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.383 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 73.9 Cg_exo -37.56 148.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.44 1.427 . . . . 0.0 111.31 -179.698 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 51.4 t30 -129.98 -60.36 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.224 -0.923 . . . . 0.0 109.353 -179.344 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.19 34.11 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -80.92 109.74 15.78 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.161 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.86 136.28 36.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.495 0.664 . . . . 0.0 109.429 -178.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -87.18 116.09 64.92 Favored Pre-proline 0 N--CA 1.49 1.545 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . 0.461 ' O ' ' ND2' ' C' ' 83' ' ' ASN . 20.7 Cg_endo -93.5 -47.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.595 1.53 . . . . 0.0 114.202 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -122.07 -44.73 2.28 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.1 p90 -59.85 -49.72 76.6 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.494 -1.379 . . . . 0.0 112.566 -175.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.7 t30 -71.73 -40.26 69.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 119.975 -1.703 . . . . 0.0 110.125 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' C' ' 79' ' ' PRO . 91.7 m-20 -60.32 -49.99 75.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 0.0 110.527 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.25 -46.48 89.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.732 -1.23 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 48.1 p -69.41 -39.93 77.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -67.03 -40.16 87.16 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.001 -1.062 . . . . 0.0 109.045 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -59.97 -42.03 93.23 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.916 -1.115 . . . . 0.0 108.428 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.53 -40.33 91.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.012 -1.055 . . . . 0.0 108.626 179.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.412 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.9 t90 -59.98 -49.79 76.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 108.959 179.309 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.91 -41.26 99.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.937 . . . . 0.0 109.95 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' C' ' 91' ' ' ARG . 50.7 mtt-85 -62.57 -41.54 99.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.018 . . . . 0.0 110.196 -179.761 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.791 -1.193 . . . . 0.0 109.222 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.93 -40.47 87.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.259 -0.901 . . . . 0.0 109.144 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.11 -44.22 95.02 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.337 -0.852 . . . . 0.0 110.666 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.18 -40.27 86.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.689 -1.257 . . . . 0.0 109.535 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.38 -41.13 96.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.235 -0.916 . . . . 0.0 109.528 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.85 -44.13 90.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.092 . . . . 0.0 109.293 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.38 -49.13 78.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.347 -0.846 . . . . 0.0 109.198 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 34.6 t-20 -60.07 -47.1 87.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.454 -0.779 . . . . 0.0 109.222 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.01 -44.05 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.812 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 23.2 p -60.83 -42.58 97.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.963 -1.086 . . . . 0.0 109.765 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.72 89.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.05 -42.69 99.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.232 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.98 -48.75 80.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -0.901 . . . . 0.0 109.082 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.93 -46.53 89.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.498 -0.751 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.03 -40.02 95.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.446 -0.784 . . . . 0.0 109.327 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.91 99.45 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 0.0 109.508 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.62 -49.22 78.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.125 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.26 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.296 -0.877 . . . . 0.0 109.255 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.98 -41.88 98.51 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.272 -0.893 . . . . 0.0 109.29 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -60.0 -49.3 78.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.86 . . . . 0.0 108.918 179.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.44 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -61.88 -42.62 99.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.35 -0.843 . . . . 0.0 109.061 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.54 -45.42 93.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 50.9 ttp -64.73 -40.51 95.46 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -60.12 -46.03 91.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.524 -0.735 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.06 -40.59 89.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.79 -40.62 93.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.45 -0.781 . . . . 0.0 109.033 179.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -62.7 -39.95 95.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.493 -0.754 . . . . 0.0 109.879 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.39 -39.18 86.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 109.128 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.32 -47.33 85.8 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -126.71 61.33 1.33 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.549 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.25 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.309 0.576 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -70.78 144.5 50.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.143 -0.973 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -90.09 59.13 4.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.339 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.49 -40.03 94.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.364 -0.835 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.1 t -60.0 -41.59 92.4 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.018 -1.051 . . . . 0.0 109.102 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 5' ' ' THR . 61.3 tp -60.76 -43.36 98.1 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.064 -1.022 . . . . 0.0 108.445 179.359 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.49 -40.05 93.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -0.785 . . . . 0.0 109.718 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.067 -1.02 . . . . 0.0 108.692 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.54 61.26 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 10' ' ' ILE . 96.6 mt -60.02 -49.18 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.425 -1.044 . . . . 0.0 109.351 179.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.93 -46.12 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.139 -0.975 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.476 -0.765 . . . . 0.0 109.418 178.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -60.01 -42.53 94.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.457 -0.777 . . . . 0.0 109.241 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.14 -40.93 91.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.992 -1.068 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.288 -0.882 . . . . 0.0 109.442 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.2 mt-30 -65.34 -40.19 93.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.154 -0.966 . . . . 0.0 109.534 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.26 -40.09 93.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.0 108.996 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.97 -44.76 94.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.491 -0.756 . . . . 0.0 109.383 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.07 -46.7 88.68 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.225 -0.922 . . . . 0.0 110.248 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.416 -179.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -44.89 95.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.046 -1.034 . . . . 0.0 108.806 -179.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.01 -40.03 91.98 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.329 -0.857 . . . . 0.0 109.43 179.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.651 ' NE ' ' ND2' ' B' ' 99' ' ' ASN . 31.5 mmt180 -60.0 -40.22 88.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.68 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.35 -40.03 89.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 108.946 179.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 73.4 tp60 -59.97 -48.02 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 108.922 179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.6 -44.59 96.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.48 -40.04 89.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.32 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.03 -39.98 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.35 -0.844 . . . . 0.0 109.407 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 57.8 mtt-85 -60.06 -40.59 89.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.986 -1.071 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.3 mt -62.87 -40.6 98.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -65.24 -39.99 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.441 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.566 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 71.6 t -60.76 -40.8 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.435 -0.791 . . . . 0.0 109.366 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.01 -43.09 95.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.51 -46.77 92.71 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.08 -49.68 76.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.018 -1.284 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.1 mttp -61.81 -39.92 93.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.969 -1.082 . . . . 0.0 110.051 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.717 HD22 HH21 ' A' ' 41' ' ' ARG . 55.4 t-20 -60.04 -40.56 89.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.247 -0.908 . . . . 0.0 109.573 -179.493 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.54 -39.99 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.143 -0.973 . . . . 0.0 109.578 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.119 -0.988 . . . . 0.0 109.956 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.456 ' O ' ' OG1' ' A' ' 43' ' ' THR . 73.3 p -60.06 -41.19 91.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.975 -1.078 . . . . 0.0 108.563 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.717 HH21 HD22 ' A' ' 37' ' ' ASN . 29.9 mtt-85 -63.15 -40.03 96.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -40.92 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.817 . . . . 0.0 109.3 179.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 40' ' ' THR . 73.9 p -60.11 -39.98 88.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.124 -0.985 . . . . 0.0 109.342 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.34 82.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.944 -1.098 . . . . 0.0 109.272 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.12 -45.12 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.473 -0.767 . . . . 0.0 110.944 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.23 -39.33 89.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.296 . . . . 0.0 109.978 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.159 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.0 m-85 -69.45 -39.21 77.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.049 -1.032 . . . . 0.0 109.442 178.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.5 mt -60.05 -39.93 87.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.933 -1.104 . . . . 0.0 108.874 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.02 -39.98 87.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 108.752 179.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.753 -1.217 . . . . 0.0 108.722 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.57 ' NE2' HD22 ' B' ' 74' ' ' ASN . 45.5 mt-30 -63.99 -37.3 86.92 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.585 179.137 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -32.88 55.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.824 -1.172 . . . . 0.0 108.064 179.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.85 -39.36 84.9 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.8 mt -71.74 117.61 13.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 108.896 179.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 32.4 m120 -133.05 -70.29 0.54 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.244 -0.91 . . . . 0.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.33 88.17 1.36 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.419 ' N ' ' CD1' ' A' ' 58' ' ' TRP . 37.6 m95 -101.33 128.38 47.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.681 . . . . 0.0 109.974 -179.137 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 109.72 -5.84 31.15 Favored Glycine 0 N--CA 1.502 3.063 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.56 177.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.84 25.26 0.21 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.952 1.876 . . . . 0.0 109.132 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.554 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.22 102.86 15.15 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.35 -0.844 . . . . 0.0 109.723 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 15.6 m-85 -106.06 7.3 31.77 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.643 -1.285 . . . . 0.0 109.697 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -159.22 25.16 0.2 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.14 151.85 41.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.39 -0.819 . . . . 0.0 109.81 -178.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 t -110.22 57.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.03 159.4 44.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -120.34 134.77 55.2 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.561 -0.712 . . . . 0.0 109.118 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.429 ' O ' ' CG2' ' A' ' 68' ' ' THR . 14.5 t -92.96 120.51 33.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.106 -0.996 . . . . 0.0 110.43 -178.288 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -113.66 123.41 49.86 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' TRP . 40.8 t -127.38 82.16 68.74 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.31 -0.869 . . . . 0.0 109.982 -179.346 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.72 69.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.761 2.308 . . . . 0.0 112.386 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' VAL . 17.3 t90 -66.38 123.45 85.51 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.689 -1.257 . . . . 0.0 108.045 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 52.3 Cg_exo -37.34 147.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.659 1.573 . . . . 0.0 111.977 -179.26 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 17.0 t-20 -130.24 -60.82 1.0 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.462 -0.774 . . . . 0.0 109.289 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.06 124.67 34.98 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.6 p -81.11 107.54 14.0 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.8 135.69 37.15 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.663 0.744 . . . . 0.0 109.882 -178.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 t -91.01 113.89 59.67 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -90.81 -48.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.097 0 C-N-CA 121.687 1.591 . . . . 0.0 114.222 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.64 -43.68 2.37 Favored 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.98 -48.44 81.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.352 -1.467 . . . . 0.0 112.358 -175.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.7 t30 -72.17 -43.27 64.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.214 -1.554 . . . . 0.0 110.366 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.92 -50.07 75.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.974 . . . . 0.0 110.568 -178.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.59 -43.77 97.97 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.054 -1.029 . . . . 0.0 109.745 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.7 p -70.0 -39.94 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -67.8 -40.07 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.914 -1.116 . . . . 0.0 109.315 -179.241 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.461 ' C ' ' HE ' ' A' ' 91' ' ' ARG . 93.0 mt-30 -59.92 -41.26 91.36 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.615 -1.303 . . . . 0.0 108.399 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.483 ' N ' HH21 ' A' ' 91' ' ' ARG . 88.7 tt0 -62.32 -40.57 96.77 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.131 -0.98 . . . . 0.0 108.475 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.448 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 70.1 t90 -60.0 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.518 -0.739 . . . . 0.0 109.072 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.39 -40.59 96.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.198 -0.939 . . . . 0.0 109.54 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.483 HH21 ' N ' ' A' ' 88' ' ' GLU . 87.0 mtm180 -63.63 -41.04 98.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.082 -1.011 . . . . 0.0 110.267 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.59 -42.86 97.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 109.625 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.41 -41.67 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.898 -1.126 . . . . 0.0 109.401 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.91 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.414 -0.804 . . . . 0.0 110.134 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -62.12 -40.13 94.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.995 -1.066 . . . . 0.0 109.99 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.01 -40.82 78.46 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.117 -0.989 . . . . 0.0 109.359 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 54.0 tp10 -60.79 -45.73 93.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 108.836 179.059 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.99 -47.42 85.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 0.0 109.304 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.628 ' ND2' ' NE ' ' C' ' 23' ' ' ARG . 26.0 t30 -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.178 -0.951 . . . . 0.0 109.121 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -60.08 -43.3 95.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.316 -0.865 . . . . 0.0 108.983 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.62 80.96 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 108.969 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.95 -45.55 92.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.291 -0.881 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.14 -43.2 95.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.165 -0.959 . . . . 0.0 109.138 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.96 -49.91 75.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.173 -0.954 . . . . 0.0 109.031 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -61.0 -41.59 96.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 108.973 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.33 97.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.266 -0.897 . . . . 0.0 109.798 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -59.88 -48.69 80.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.63 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.362 179.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 63.2 tt0 -62.64 -40.05 95.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.328 -0.857 . . . . 0.0 109.518 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -59.94 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.215 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -45.64 92.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.146 -0.971 . . . . 0.0 109.055 179.718 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.03 -45.38 92.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.24 -44.52 97.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.08 -1.012 . . . . 0.0 109.178 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.62 -40.02 80.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.239 -0.913 . . . . 0.0 108.709 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.95 -48.62 80.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.523 -0.736 . . . . 0.0 109.504 179.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.05 90.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.268 -0.895 . . . . 0.0 109.7 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.66 -44.28 96.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.151 -0.968 . . . . 0.0 109.427 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.8 mt-30 -61.11 -40.07 92.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.2 -0.938 . . . . 0.0 109.677 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 109.718 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.55 -46.81 87.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -125.92 62.74 1.23 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.637 -0.665 . . . . 0.0 109.34 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 117.981 -1.009 . . . . 0.0 108.955 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.3 mt-30 -70.83 144.52 50.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -90.04 59.39 4.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.089 -1.007 . . . . 0.0 109.306 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.71 -39.96 94.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 0.0 109.002 179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.5 t -60.05 -41.46 92.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.2 -0.938 . . . . 0.0 109.075 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.422 ' N ' ' CG2' ' B' ' 5' ' ' THR . 61.8 tp -60.79 -43.71 97.76 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.436 -0.79 . . . . 0.0 109.659 179.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.07 87.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.005 -1.059 . . . . 0.0 108.719 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.58 61.45 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.409 HG22 HD11 ' B' ' 10' ' ' ILE . 96.6 mt -59.94 -49.11 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 109.32 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.07 -46.13 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.402 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.488 -0.757 . . . . 0.0 109.383 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -60.04 -42.19 93.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.18 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.71 -40.45 92.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.053 -1.03 . . . . 0.0 109.12 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.21 -40.74 91.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.915 . . . . 0.0 109.493 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 28.3 mt-30 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.504 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.42 -40.0 92.81 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.141 -0.975 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.11 -44.73 94.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.567 -0.708 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.08 -46.83 88.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.118 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.96 -40.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -44.72 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.086 -1.009 . . . . 0.0 108.733 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.16 -39.98 92.15 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.49 -0.756 . . . . 0.0 109.444 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.606 ' NE ' ' ND2' ' C' ' 99' ' ' ASN . 31.8 mmt180 -60.09 -40.5 89.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.864 . . . . 0.0 109.429 -179.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 108.924 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.446 ' NE2' ' OE1' ' B' ' 97' ' ' GLU . 73.4 tp60 -59.99 -48.07 83.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.227 -0.921 . . . . 0.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -44.21 97.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.131 -0.98 . . . . 0.0 109.58 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.89 -40.05 91.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.296 -0.877 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.97 -40.04 87.71 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.367 -0.833 . . . . 0.0 109.231 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.462 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 58.1 mtt-85 -59.93 -40.41 88.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.903 -1.123 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.0 mt -62.98 -40.92 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.003 -1.06 . . . . 0.0 109.562 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.8 p -65.13 -39.97 93.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.052 -1.03 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.552 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 71.0 t -60.58 -40.84 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -60.01 -43.19 95.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.448 -0.782 . . . . 0.0 110.318 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.67 -46.67 93.02 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -1.232 . . . . 0.0 109.983 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.552 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.1 mttp -61.47 -39.97 92.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.867 -1.146 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.699 HD22 HH21 ' B' ' 41' ' ' ARG . 54.9 t-20 -60.05 -40.73 90.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 109.448 -179.282 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.26 -39.95 92.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.09 -1.006 . . . . 0.0 109.559 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.24 -40.96 92.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.216 -0.928 . . . . 0.0 109.963 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' B' ' 43' ' ' THR . 72.7 p -60.4 -40.59 91.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.088 -1.008 . . . . 0.0 108.594 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.699 HH21 HD22 ' B' ' 37' ' ' ASN . 31.1 mtt-85 -63.74 -40.06 95.8 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.2 -40.42 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 0.0 109.267 179.538 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 40' ' ' THR . 75.2 p -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.961 -1.087 . . . . 0.0 109.28 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -41.6 83.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.903 -1.123 . . . . 0.0 109.317 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.96 -45.96 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.81 -179.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -39.62 87.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.621 -1.3 . . . . 0.0 110.113 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.521 -1.362 . . . . 0.0 109.01 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.5 m-85 -69.47 -39.05 77.95 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.957 -1.089 . . . . 0.0 109.596 178.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.942 -1.099 . . . . 0.0 108.841 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.149 -0.969 . . . . 0.0 108.765 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.774 -1.204 . . . . 0.0 108.653 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.586 ' NE2' HD22 ' C' ' 74' ' ' ASN . 45.2 mt-30 -63.59 -37.94 89.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.037 -1.039 . . . . 0.0 109.623 178.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.6 -32.92 53.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.865 -1.147 . . . . 0.0 108.066 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.65 -39.2 83.6 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.052 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -72.19 117.24 13.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 108.873 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 32.6 m120 -132.6 -70.56 0.55 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 109.337 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.08 88.32 1.38 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 38.1 m95 -101.4 128.65 47.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.6 -0.688 . . . . 0.0 109.981 -179.272 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 109.73 -6.09 31.21 Favored Glycine 0 N--CA 1.502 3.081 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.662 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.81 25.21 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.939 -1.918 . . . . 0.0 109.12 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.18 103.1 15.4 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.532 -0.73 . . . . 0.0 109.702 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 15.2 m-85 -106.16 7.25 31.54 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.783 -1.198 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -159.33 24.93 0.2 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -142.99 151.59 41.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.427 -0.795 . . . . 0.0 109.943 -178.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -110.01 57.31 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.38 159.37 44.51 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.48 134.73 55.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' B' ' 68' ' ' THR . 14.5 t -92.9 120.49 33.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.89 . . . . 0.0 110.428 -178.258 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 10.3 t -113.72 123.53 50.1 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' TRP . 41.5 t -127.58 82.03 69.06 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.386 -0.821 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.55 69.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.776 2.317 . . . . 0.0 112.465 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' VAL . 18.6 t90 -66.67 123.3 85.48 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 120.776 -1.203 . . . . 0.0 107.961 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' B' ' 72' ' ' TRP . 53.0 Cg_exo -37.35 147.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.599 1.532 . . . . 0.0 111.903 -179.037 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.59 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 17.2 t-20 -130.25 -60.78 1.0 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.398 -0.814 . . . . 0.0 109.128 -179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.34 124.94 35.33 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -81.41 107.58 14.3 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.96 135.66 37.0 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.798 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.6 t -91.17 114.1 60.5 Favored Pre-proline 0 N--CA 1.491 1.613 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -91.19 -48.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.712 1.608 . . . . 0.0 114.179 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.75 -43.96 2.34 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.99 -48.36 82.03 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.422 -1.424 . . . . 0.0 112.422 -175.477 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.634 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.96 -43.62 64.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.215 -1.553 . . . . 0.0 110.425 -179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.98 -49.94 75.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.123 -0.986 . . . . 0.0 110.393 -178.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.7 -43.43 98.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.051 -1.031 . . . . 0.0 109.629 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 51.4 p -70.04 -40.01 75.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.123 -0.986 . . . . 0.0 110.215 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -67.75 -39.98 84.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.879 -1.138 . . . . 0.0 109.53 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . 0.467 ' C ' ' HE ' ' B' ' 91' ' ' ARG . 93.1 mt-30 -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.554 -1.342 . . . . 0.0 108.358 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.491 ' N ' HH21 ' B' ' 91' ' ' ARG . 88.6 tt0 -62.3 -40.53 96.6 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 108.496 178.517 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -59.95 -49.91 75.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.475 -0.765 . . . . 0.0 109.056 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.4 -39.96 94.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.491 HH21 ' N ' ' B' ' 88' ' ' GLU . 87.1 mtm180 -64.51 -40.79 96.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 110.1 -179.864 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.87 -42.24 97.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.892 -1.13 . . . . 0.0 109.578 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.95 -47.93 83.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.463 -0.773 . . . . 0.0 110.183 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.41 -40.0 95.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.909 -179.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.27 -40.46 77.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.186 -0.946 . . . . 0.0 109.255 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.462 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 53.6 tp10 -61.08 -45.59 94.11 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 108.837 179.09 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.96 87.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.32 -0.863 . . . . 0.0 109.557 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.651 ' ND2' ' NE ' ' A' ' 23' ' ' ARG . 25.5 t30 -60.26 -45.39 93.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 109.436 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.97 -46.92 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.117 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -59.98 -43.49 95.1 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.335 -0.853 . . . . 0.0 109.084 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.34 82.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.424 -0.797 . . . . 0.0 109.11 179.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -45.68 92.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.447 -0.783 . . . . 0.0 109.115 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.08 -43.26 95.61 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.266 -0.896 . . . . 0.0 109.072 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.02 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 108.934 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -60.69 -41.41 95.11 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.052 -1.03 . . . . 0.0 109.319 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.99 97.75 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 109.655 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -49.02 79.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.091 -1.006 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 95.3 mt -60.03 -50.07 81.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.143 -0.973 . . . . 0.0 109.227 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 63.2 tt0 -62.37 -40.04 95.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.32 -0.863 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -59.93 -49.39 77.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.91 . . . . 0.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.07 -45.54 92.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.011 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.05 -45.32 93.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.841 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.55 -44.52 96.88 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.076 -1.015 . . . . 0.0 109.126 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.49 -40.0 81.1 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.341 -0.849 . . . . 0.0 108.774 179.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.03 -48.64 80.88 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.638 -0.664 . . . . 0.0 109.412 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.57 92.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.29 -0.881 . . . . 0.0 109.594 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.97 -44.73 94.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.143 -0.973 . . . . 0.0 109.38 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.79 -40.06 91.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.202 -0.936 . . . . 0.0 109.863 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 0.0 109.63 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.82 -46.16 90.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -126.41 62.54 1.28 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.66 -0.65 . . . . 0.0 109.291 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 117.938 -1.029 . . . . 0.0 108.982 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.51 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.4 mt-30 -70.97 144.37 50.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 109.704 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -89.95 59.23 4.48 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.239 -0.913 . . . . 0.0 109.342 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.63 -40.03 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.378 -0.826 . . . . 0.0 109.196 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.0 t -59.92 -41.76 92.43 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.117 -0.99 . . . . 0.0 109.146 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' C' ' 5' ' ' THR . 61.8 tp -60.76 -43.38 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.149 -0.969 . . . . 0.0 108.418 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.43 -39.96 92.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.449 -0.782 . . . . 0.0 109.614 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.1 87.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 108.745 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.95 -46.33 59.93 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 10' ' ' ILE . 96.6 mt -59.96 -49.04 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.321 -1.105 . . . . 0.0 109.274 179.553 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.03 -46.19 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -59.96 -42.09 93.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.42 -0.8 . . . . 0.0 109.373 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.95 -40.13 92.13 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.083 -1.01 . . . . 0.0 109.016 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.39 -40.59 91.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.325 -0.86 . . . . 0.0 109.495 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.1 mt-30 -65.61 -40.02 92.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 109.66 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.5 -40.04 92.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.166 -0.959 . . . . 0.0 108.983 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.07 -44.66 94.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.613 -0.68 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.01 -47.02 87.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.269 -0.894 . . . . 0.0 110.104 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.94 -40.06 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 0.0 109.523 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.97 -44.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 108.859 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.1 -40.12 92.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.628 ' NE ' ' ND2' ' A' ' 99' ' ' ASN . 31.6 mmt180 -60.07 -40.37 89.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.23 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.13 -39.99 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.994 179.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . 0.425 ' NE2' ' OE1' ' C' ' 97' ' ' GLU . 73.5 tp60 -59.98 -48.06 83.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.249 -0.907 . . . . 0.0 108.989 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.5 -44.3 97.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.613 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.73 -40.1 91.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 109.188 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 0.0 109.245 179.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.478 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 58.6 mtt-85 -60.1 -40.05 88.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.115 -0.991 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.448 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.0 mt -63.28 -40.5 97.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.007 -1.058 . . . . 0.0 109.74 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -65.26 -40.0 93.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.465 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.557 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 71.4 t -60.87 -40.76 86.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.232 -0.917 . . . . 0.0 109.409 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.95 -43.05 95.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.346 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.48 -47.09 91.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.13 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -1.232 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . 0.557 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.27 -40.02 92.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.918 -1.114 . . . . 0.0 110.164 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.694 HD22 HH21 ' C' ' 41' ' ' ARG . 55.4 t-20 -59.97 -40.67 89.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 109.489 -179.399 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.27 -39.93 92.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.073 -1.017 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.21 -40.96 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 0.0 110.112 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.448 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.49 -40.4 91.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.969 -1.082 . . . . 0.0 108.676 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.694 HH21 HD22 ' C' ' 37' ' ' ASN . 30.4 mtt-85 -63.84 -39.86 95.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -41.34 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.457 -0.777 . . . . 0.0 109.147 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' C' ' 40' ' ' THR . 74.7 p -60.02 -40.01 87.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.054 -1.029 . . . . 0.0 109.212 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.71 83.49 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.84 -1.163 . . . . 0.0 109.312 179.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -59.95 -45.48 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 0.0 110.969 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.59 -39.27 87.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.539 -1.351 . . . . 0.0 110.088 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.99 -40.1 88.03 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.71 -1.243 . . . . 0.0 109.111 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.5 m-85 -69.67 -39.16 77.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.077 -1.014 . . . . 0.0 109.449 178.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.11 -39.98 88.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.949 -1.094 . . . . 0.0 108.905 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.9 -40.06 87.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 108.769 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.02 -39.87 87.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.806 -1.183 . . . . 0.0 108.627 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.563 ' NE2' HD22 ' A' ' 74' ' ' ASN . 44.8 mt-30 -63.86 -37.83 88.86 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.047 -1.033 . . . . 0.0 109.495 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.47 -32.64 51.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.842 -1.161 . . . . 0.0 108.109 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.86 -39.18 84.36 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.22 117.47 13.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 108.919 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 32.8 m120 -132.74 -70.59 0.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.248 -0.907 . . . . 0.0 109.334 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.05 88.1 1.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.415 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 37.5 m95 -101.36 128.27 47.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.631 -0.668 . . . . 0.0 110.05 -179.32 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.11 -5.7 30.45 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.341 -0.849 . . . . 0.0 112.662 177.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.82 25.02 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.126 -1.808 . . . . 0.0 109.133 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.15 102.02 14.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.377 -0.827 . . . . 0.0 109.9 179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 14.6 m-85 -105.31 7.51 33.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.722 -1.236 . . . . 0.0 109.831 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -159.15 25.06 0.2 Allowed 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.92 151.94 41.51 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.321 -0.862 . . . . 0.0 109.832 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -110.17 56.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 177.718 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.01 159.31 44.5 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.14 134.33 55.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.563 -0.71 . . . . 0.0 109.182 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 68' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' C' ' 68' ' ' THR . 14.4 t -92.75 120.52 33.22 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.181 -0.949 . . . . 0.0 110.456 -178.337 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -113.83 123.37 49.64 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.527 ' O ' ' N ' ' C' ' 72' ' ' TRP . 41.0 t -127.45 81.96 69.13 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.404 -0.81 . . . . 0.0 109.933 -179.187 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -55.58 69.0 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.864 2.376 . . . . 0.0 112.384 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.527 ' N ' ' O ' ' C' ' 70' ' ' VAL . 16.9 t90 -66.29 123.36 85.19 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.491 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 52.0 Cg_exo -37.4 147.73 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.634 1.556 . . . . 0.0 111.924 -179.289 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.586 HD22 ' NE2' ' B' ' 52' ' ' GLN . 17.0 t-20 -130.28 -60.64 1.0 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.276 -0.89 . . . . 0.0 109.237 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.41 124.6 35.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -81.32 107.45 14.12 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 135.38 36.89 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.724 0.773 . . . . 0.0 109.909 -177.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 7.8 t -90.47 113.9 59.23 Favored Pre-proline 0 N--CA 1.49 1.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.759 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.93 -48.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.523 1.482 . . . . 0.0 114.26 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.71 -43.71 2.36 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -59.95 -48.45 81.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.451 -1.406 . . . . 0.0 112.309 -175.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.628 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.6 t30 -72.13 -43.38 64.8 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.144 -1.597 . . . . 0.0 110.347 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 110.463 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.63 -43.73 98.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.684 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 50.0 p -70.04 -40.06 75.37 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.073 -1.017 . . . . 0.0 110.097 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -67.52 -39.99 85.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.833 -1.167 . . . . 0.0 109.465 -179.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . 0.458 ' C ' ' HE ' ' C' ' 91' ' ' ARG . 92.8 mt-30 -59.99 -41.52 92.21 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.606 -1.308 . . . . 0.0 108.329 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.48 ' N ' HH21 ' C' ' 91' ' ' ARG . 88.6 tt0 -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.039 -1.038 . . . . 0.0 108.458 178.65 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.474 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.95 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.45 -40.2 95.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.875 . . . . 0.0 109.624 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . 0.48 HH21 ' N ' ' C' ' 88' ' ' GLU . 87.1 mtm180 -64.01 -40.94 97.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.105 -0.997 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -60.57 -42.63 97.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.839 -1.163 . . . . 0.0 109.644 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.81 -41.4 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.419 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -59.87 -48.27 82.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.41 -0.806 . . . . 0.0 110.119 -179.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -62.15 -40.34 95.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.053 -1.029 . . . . 0.0 109.848 -179.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.96 -40.7 78.72 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.187 -0.945 . . . . 0.0 109.329 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . 0.478 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 53.9 tp10 -60.92 -45.76 93.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.165 -0.959 . . . . 0.0 108.887 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -47.28 86.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.286 -0.883 . . . . 0.0 109.334 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.606 ' ND2' ' NE ' ' B' ' 23' ' ' ARG . 26.4 t30 -59.94 -45.61 92.06 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.008 -1.057 . . . . 0.0 109.435 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.99 -46.7 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 0.0 109.122 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -59.96 -43.5 95.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.186 -0.946 . . . . 0.0 109.157 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.71 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.298 -0.876 . . . . 0.0 109.089 179.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.94 -45.69 91.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.23 -43.14 96.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -0.968 . . . . 0.0 109.12 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.92 -49.64 76.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.226 -0.921 . . . . 0.0 108.96 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.27 -41.47 96.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.933 . . . . 0.0 109.15 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.67 98.39 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.168 -0.957 . . . . 0.0 109.661 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.01 -49.11 78.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.696 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.07 -49.8 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.236 -0.915 . . . . 0.0 109.335 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' B' ' 16' ' ' GLN . 63.2 tt0 -62.56 -40.09 95.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 0.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -59.96 -49.39 77.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -45.74 91.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.04 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.0 -45.46 92.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.722 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.15 -44.53 97.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.958 -1.089 . . . . 0.0 109.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.64 -40.05 80.44 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.522 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -60.01 -48.52 81.35 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.531 -0.73 . . . . 0.0 109.432 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.64 -40.64 92.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.933 . . . . 0.0 109.612 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.93 -44.54 94.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.292 -0.88 . . . . 0.0 109.483 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.658 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.291 -0.88 . . . . 0.0 109.777 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.33 -46.98 87.12 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -125.91 62.81 1.23 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.592 -0.693 . . . . 0.0 109.28 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.478 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.098 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.492 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 95.9 mt-30 -70.86 144.05 50.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.301 -0.874 . . . . 0.0 109.808 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 3' ' ' SER . 16.3 p -90.79 58.48 3.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.281 -0.887 . . . . 0.0 109.245 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 58.4 mtt-85 -68.09 -40.02 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.2 -0.937 . . . . 0.0 109.302 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -60.97 -40.71 94.44 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.283 -0.886 . . . . 0.0 109.175 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.12 -43.79 95.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.05 -1.031 . . . . 0.0 108.406 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.18 -40.01 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.531 -0.73 . . . . 0.0 109.597 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.65 94.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.015 -1.053 . . . . 0.0 108.2 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.61 -45.4 85.09 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 10' ' ' ILE . 86.5 mt -59.95 -46.46 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -1.171 . . . . 0.0 109.619 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.98 -42.53 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.114 . . . . 0.0 109.07 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.34 -39.97 89.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.96 -41.95 93.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.93 . . . . 0.0 109.687 -178.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.04 -41.8 97.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.97 -1.081 . . . . 0.0 109.196 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -44.05 94.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.362 -0.836 . . . . 0.0 109.193 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.5 mt-30 -61.13 -42.67 98.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.208 -0.933 . . . . 0.0 109.3 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.37 -41.44 98.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.0 109.378 179.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.03 -43.33 95.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.478 -0.764 . . . . 0.0 109.014 179.515 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 55.1 t0 -59.98 -49.16 78.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.692 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.99 -40.78 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -43.54 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.912 . . . . 0.0 108.95 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.89 -41.58 96.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.781 . . . . 0.0 109.049 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -60.71 -40.09 90.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.653 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.173 -0.954 . . . . 0.0 108.601 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.01 -49.13 78.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.377 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.56 -42.23 98.36 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.994 -1.067 . . . . 0.0 109.499 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.33 -41.14 96.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 109.1 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.45 -0.781 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.1 -41.04 91.66 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.04 -1.038 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -60.98 -41.68 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.471 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 74.2 p -62.9 -40.01 96.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.055 -1.028 . . . . 0.0 109.581 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.471 ' N ' ' HG1' ' A' ' 31' ' ' THR . 68.8 t -61.25 -40.05 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.419 -0.8 . . . . 0.0 109.449 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.02 -42.25 93.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -0.925 . . . . 0.0 109.746 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.0 96.32 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.2 m -59.92 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.08 -1.247 . . . . 0.0 108.968 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -60.79 -40.05 91.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.055 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.451 ' O ' ' OG1' ' A' ' 40' ' ' THR . 51.8 t-20 -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.339 -0.85 . . . . 0.0 109.875 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.885 -1.135 . . . . 0.0 108.226 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.284 -0.885 . . . . 0.0 109.18 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 50.6 p -60.05 -43.01 95.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.217 -179.638 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.581 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.8 mtt-85 -63.25 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.729 -1.232 . . . . 0.0 108.575 178.587 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.34 -42.9 92.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.506 -0.746 . . . . 0.0 109.531 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 40' ' ' THR . 40.7 p -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.971 -1.081 . . . . 0.0 109.809 -179.482 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.95 98.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.994 -1.066 . . . . 0.0 109.096 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.44 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.49 -0.756 . . . . 0.0 109.238 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.77 -41.57 97.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.125 -0.984 . . . . 0.0 109.392 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.5 m-85 -69.97 -37.88 75.91 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.893 . . . . 0.0 109.081 179.14 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.862 -1.149 . . . . 0.0 108.92 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.58 -40.28 91.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.69 -1.256 . . . . 0.0 108.194 178.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -40.09 79.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.601 -179.793 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.06 81.37 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.964 -1.085 . . . . 0.0 108.414 179.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.06 -39.97 87.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.771 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.6 116.49 10.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.871 -1.143 . . . . 0.0 108.672 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.0 m120 -132.87 -60.35 0.87 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.41 -0.806 . . . . 0.0 110.351 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.43 117.0 3.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 109.815 -179.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -100.19 126.39 46.45 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.237 -0.915 . . . . 0.0 110.481 -179.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 63.23 27.97 71.47 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.002 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -78.82 23.77 0.32 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.703 -1.469 . . . . 0.0 110.113 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.61 107.98 1.77 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.751 -1.218 . . . . 0.0 110.884 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.3 12.19 23.27 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.334 -0.854 . . . . 0.0 109.904 178.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -133.83 23.7 3.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.201 -0.937 . . . . 0.0 108.526 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.54 152.81 34.71 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.54 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.205 -0.935 . . . . 0.0 108.548 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.93 43.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.601 -0.687 . . . . 0.0 109.382 179.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -129.32 134.92 48.15 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -89.13 112.65 23.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.756 -1.215 . . . . 0.0 109.586 -178.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.2 t -116.37 121.84 43.1 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.503 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 84.1 t -127.92 82.78 67.75 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.547 -0.72 . . . . 0.0 109.522 -179.054 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -85.74 60.99 5.19 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.755 2.303 . . . . 0.0 111.547 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -69.97 130.06 90.3 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.693 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.52 150.11 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.422 1.415 . . . . 0.0 110.883 179.084 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER -128.9 -42.67 1.39 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.26 -0.9 . . . . 0.0 109.936 -178.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.67 124.05 35.52 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.4 p -83.6 103.07 12.63 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.419 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.8 mt -81.07 134.77 35.72 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.361 0.6 . . . . 0.0 109.739 -178.229 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 78' ' ' THR . 13.8 t -94.98 111.41 54.52 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -93.0 -47.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.809 1.673 . . . . 0.0 114.323 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.47 -45.25 2.32 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.316 -0.865 . . . . 0.0 113.215 -177.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.05 -55.26 36.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.299 -1.5 . . . . 0.0 112.185 -176.377 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.71 41.33 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 119.963 -1.711 . . . . 0.0 109.8 -179.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.0 -48.06 83.28 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.961 . . . . 0.0 109.455 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.66 -40.69 97.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.156 -0.965 . . . . 0.0 109.67 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.6 p -68.49 -39.87 81.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.038 -1.038 . . . . 0.0 109.424 179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.521 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 57.9 t-105 -61.4 -40.22 93.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.939 -1.101 . . . . 0.0 109.225 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.95 91.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.76 -1.213 . . . . 0.0 108.897 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 -40.12 91.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.021 -1.05 . . . . 0.0 108.987 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 53.6 t90 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 109.359 179.118 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.92 -40.05 96.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.413 -0.804 . . . . 0.0 109.26 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' HG3' HH11 ' A' ' 91' ' ' ARG . 19.7 mmm-85 -60.14 -42.73 95.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.358 -0.839 . . . . 0.0 109.842 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.15 -42.6 95.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.935 -1.103 . . . . 0.0 109.383 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.57 -40.56 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.269 -0.895 . . . . 0.0 109.192 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.91 -46.55 88.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -61.41 -43.25 99.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.975 -1.078 . . . . 0.0 109.946 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.87 -40.99 88.01 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.059 -1.026 . . . . 0.0 109.096 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.11 -47.0 87.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.261 -0.899 . . . . 0.0 109.0 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.0 -42.35 94.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.284 -0.885 . . . . 0.0 109.286 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.88 -40.02 91.22 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.233 -0.917 . . . . 0.0 109.665 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.76 -42.97 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 0.0 109.106 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.3 p -61.16 -43.87 98.2 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.931 . . . . 0.0 109.684 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.65 -42.49 98.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.91 . . . . 0.0 109.426 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.23 -44.7 94.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 0.0 109.233 179.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 -48.87 79.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.182 -0.948 . . . . 0.0 108.855 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.19 -41.97 97.75 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.57 92.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.197 -0.939 . . . . 0.0 109.513 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.98 -49.72 76.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.19 -0.944 . . . . 0.0 109.451 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.405 -0.809 . . . . 0.0 109.282 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 64.0 tt0 -61.45 -40.34 94.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -59.93 -50.01 75.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.465 -0.772 . . . . 0.0 109.532 -179.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.96 -45.96 90.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.588 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.2 -41.35 92.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 0.0 109.903 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.99 -49.71 76.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.033 -1.042 . . . . 0.0 109.608 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.36 -40.74 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 0.0 108.692 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.597 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.5 t80 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.471 -0.768 . . . . 0.0 109.064 179.363 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.46 -39.99 89.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 109.32 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -40.28 88.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.582 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.16 -41.87 93.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.045 -1.034 . . . . 0.0 109.607 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.597 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 34.6 mttp -61.27 -40.05 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.092 -1.005 . . . . 0.0 109.888 179.35 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.72 -48.97 79.32 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -117.29 59.34 0.77 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.711 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.967 -1.083 . . . . 0.0 109.521 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.487 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 95.9 mt-30 -71.16 143.85 50.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.732 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 3' ' ' SER . 15.9 p -90.6 58.29 3.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 0.0 109.365 179.853 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.487 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 56.8 mtt-85 -67.74 -40.02 84.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -61.1 -40.79 95.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.18 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.97 -43.74 94.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 108.414 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.3 -40.0 88.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.549 -0.72 . . . . 0.0 109.515 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.4 94.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.431 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.63 -45.31 85.78 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.013 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.419 HD11 HG22 ' B' ' 10' ' ' ILE . 86.3 mt -60.01 -46.5 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.314 -1.109 . . . . 0.0 109.656 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.03 -42.17 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.955 -1.091 . . . . 0.0 109.046 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 109.746 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.94 -41.67 92.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -178.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.12 -41.95 97.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.947 -1.096 . . . . 0.0 109.074 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.94 -43.92 94.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -0.89 . . . . 0.0 109.118 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.31 -42.41 98.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -0.947 . . . . 0.0 109.297 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.69 -41.43 98.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.95 -43.42 95.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.29 -0.881 . . . . 0.0 109.181 179.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.299 -0.876 . . . . 0.0 109.821 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.98 -40.99 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.976 -1.077 . . . . 0.0 109.397 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -43.74 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.211 -0.931 . . . . 0.0 108.766 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.5 -42.06 95.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.48 -0.762 . . . . 0.0 109.191 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -60.5 -39.94 89.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.77 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.12 -39.92 87.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.17 -0.956 . . . . 0.0 108.653 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.98 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 109.335 179.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.99 -41.88 97.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.115 -0.991 . . . . 0.0 109.37 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.52 -41.13 96.87 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.0 109.017 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.378 -0.826 . . . . 0.0 109.889 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.25 -41.08 92.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 109.287 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.401 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.4 mt -61.08 -41.66 97.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.16 -0.962 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.478 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 75.7 p -62.81 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.066 -1.021 . . . . 0.0 109.545 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.478 ' N ' ' HG1' ' B' ' 31' ' ' THR . 68.6 t -61.18 -40.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.442 -0.786 . . . . 0.0 109.454 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.97 -42.37 94.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.781 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.55 -44.89 96.41 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -59.96 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.013 -1.286 . . . . 0.0 108.975 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.97 -39.99 91.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.934 179.3 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.434 ' O ' ' OG1' ' B' ' 40' ' ' THR . 52.7 t-20 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.454 -0.779 . . . . 0.0 109.925 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.869 -1.144 . . . . 0.0 108.132 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.93 -39.99 87.4 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.404 -0.81 . . . . 0.0 109.292 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 50.2 p -60.03 -42.97 95.55 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.928 -1.107 . . . . 0.0 109.216 -179.693 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.574 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.1 mtt-85 -63.12 -40.07 96.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.746 -1.221 . . . . 0.0 108.523 178.464 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -42.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.478 -0.764 . . . . 0.0 109.64 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -40.03 88.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.0 -1.062 . . . . 0.0 109.799 -179.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.15 98.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.022 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.12 -40.01 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.763 . . . . 0.0 109.234 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.363 -178.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.32 -41.47 98.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.115 -0.991 . . . . 0.0 109.091 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -70.06 -37.68 75.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.105 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.03 -40.31 88.9 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.955 -1.091 . . . . 0.0 109.008 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.35 -40.25 90.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.713 -1.242 . . . . 0.0 108.108 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.17 -39.97 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.056 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -39.9 78.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 108.602 -179.739 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.93 82.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.948 -1.095 . . . . 0.0 108.374 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 109.617 -179.714 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.77 116.53 11.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.893 -1.129 . . . . 0.0 108.735 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 32.9 m120 -133.05 -60.22 0.86 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.399 -0.813 . . . . 0.0 110.464 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.54 116.83 3.62 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -178.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -100.2 126.26 46.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.286 -0.883 . . . . 0.0 110.629 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 62.88 28.39 71.79 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.861 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -78.83 23.8 0.32 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.753 -1.439 . . . . 0.0 110.027 -179.535 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.64 108.3 1.79 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.781 -1.199 . . . . 0.0 110.804 179.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -110.58 12.06 22.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.245 -0.909 . . . . 0.0 109.71 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -133.72 23.68 3.98 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.108 -0.995 . . . . 0.0 108.473 178.451 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.3 153.1 35.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 t -101.95 57.62 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.111 -0.993 . . . . 0.0 108.455 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.12 157.92 43.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.601 -0.687 . . . . 0.0 109.335 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -129.26 134.88 48.16 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.714 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -88.92 112.63 23.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.715 -1.241 . . . . 0.0 109.502 -178.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 8.1 t -116.47 121.73 42.7 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.481 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 84.4 t -127.8 82.89 67.49 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.418 -0.801 . . . . 0.0 109.534 -178.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.88 61.36 5.12 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 122.842 2.361 . . . . 0.0 111.556 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -70.29 130.44 89.41 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.706 -0.621 . . . . 0.0 109.543 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -40.78 150.51 0.13 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.447 1.431 . . . . 0.0 111.047 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -129.38 -42.49 1.33 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.209 -0.932 . . . . 0.0 110.002 -178.906 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.05 123.88 35.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 6.8 p -83.56 103.05 12.58 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 mt -81.21 134.69 35.66 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.296 0.57 . . . . 0.0 109.685 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' B' ' 78' ' ' THR . 14.0 t -94.91 111.29 53.95 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.57 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -92.96 -47.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.667 1.578 . . . . 0.0 114.293 -179.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.52 -45.42 2.31 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.194 -0.941 . . . . 0.0 113.203 -177.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -59.96 -55.13 37.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.326 -1.484 . . . . 0.0 112.199 -176.34 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 9.3 t-20 -79.5 -35.46 40.11 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 119.93 -1.731 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.03 -47.95 83.71 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.144 -0.973 . . . . 0.0 109.486 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.78 -40.66 97.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.051 -1.031 . . . . 0.0 109.671 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -68.48 -39.96 81.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 109.329 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.517 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 57.7 t-105 -61.5 -40.12 93.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.944 -1.098 . . . . 0.0 109.146 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.01 -41.1 91.42 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.882 -1.136 . . . . 0.0 108.848 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.74 -40.14 91.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.126 -0.984 . . . . 0.0 108.958 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.517 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.1 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.375 -0.828 . . . . 0.0 109.312 179.122 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.39 -40.57 96.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.49 -0.757 . . . . 0.0 109.297 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -60.07 -42.49 94.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 109.867 -179.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.24 -42.63 95.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.934 -1.104 . . . . 0.0 109.464 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -40.31 88.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.0 109.172 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.04 -46.55 89.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.858 . . . . 0.0 110.057 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -61.37 -43.17 99.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.897 -1.127 . . . . 0.0 109.976 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.85 -41.1 87.9 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.077 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.11 -46.4 89.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.0 109.086 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.7 -42.15 96.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.312 -0.867 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.01 -39.96 90.7 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.271 -0.893 . . . . 0.0 109.68 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.78 -42.77 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 0.0 109.083 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 46.8 p -61.59 -43.63 98.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.503 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.736 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.76 -41.9 98.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.67 -44.65 96.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.011 -1.055 . . . . 0.0 109.14 179.224 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -49.11 78.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.163 -0.96 . . . . 0.0 108.82 179.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.17 -41.58 97.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 109.396 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.37 93.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.26 -0.9 . . . . 0.0 109.522 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -49.94 75.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.256 -0.903 . . . . 0.0 109.386 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.04 -50.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.38 -0.825 . . . . 0.0 109.361 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.421 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 64.1 tt0 -61.29 -40.31 93.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 0.0 109.173 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -59.98 -49.96 75.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.425 -0.797 . . . . 0.0 109.564 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.11 -45.94 91.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -0.88 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.262 -0.899 . . . . 0.0 109.802 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.011 -1.056 . . . . 0.0 109.67 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.45 -40.58 96.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 0.0 108.821 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . 0.589 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 71.1 t80 -60.02 -49.95 75.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.447 -0.783 . . . . 0.0 108.961 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.223 -0.923 . . . . 0.0 109.231 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.98 -40.25 88.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.383 -0.823 . . . . 0.0 109.649 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.9 mt-30 -60.24 -41.73 93.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 109.673 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.589 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 34.8 mttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.223 -0.923 . . . . 0.0 109.913 179.3 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.79 -49.22 78.5 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -117.0 58.79 0.77 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.44 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.007 -1.058 . . . . 0.0 109.42 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.487 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 96.1 mt-30 -70.89 144.21 50.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.341 -0.85 . . . . 0.0 109.749 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 3' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' C' ' 3' ' ' SER . 16.1 p -91.09 58.46 3.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 109.293 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.487 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 56.9 mtt-85 -67.81 -39.95 83.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.65 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -61.39 -40.43 94.32 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.25 -43.69 95.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.967 . . . . 0.0 108.41 179.493 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.26 -40.01 88.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.668 -0.645 . . . . 0.0 109.65 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.33 94.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.023 -1.048 . . . . 0.0 108.351 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.84 87.67 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.408 HD11 HG22 ' C' ' 10' ' ' ILE . 86.4 mt -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.334 -1.098 . . . . 0.0 109.753 179.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.09 -42.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.42 -39.94 89.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 179.095 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -41.81 93.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.0 109.8 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.1 -41.77 97.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.915 -1.116 . . . . 0.0 109.13 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -43.78 95.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.218 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.6 mt-30 -61.48 -42.35 98.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.914 . . . . 0.0 109.257 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -41.23 97.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -0.867 . . . . 0.0 109.183 179.36 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.04 -43.48 95.31 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.24 -0.912 . . . . 0.0 109.056 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.04 -48.8 80.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.263 -0.898 . . . . 0.0 109.749 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.05 -40.76 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.004 -1.06 . . . . 0.0 109.413 -179.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -43.38 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.231 -0.918 . . . . 0.0 108.991 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.35 -41.07 96.45 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -61.28 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.457 -0.777 . . . . 0.0 109.587 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.03 -40.05 87.98 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.523 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 0.0 109.376 179.444 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.83 -42.05 97.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 0.0 109.37 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.48 -41.2 96.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.473 -0.767 . . . . 0.0 108.99 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.05 -40.32 89.03 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.28 -40.28 89.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.43 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -61.69 -41.55 97.74 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.465 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 71.4 p -62.85 -39.98 96.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 109.58 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.465 ' N ' ' HG1' ' C' ' 31' ' ' THR . 68.7 t -61.28 -39.98 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.437 -0.789 . . . . 0.0 109.399 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.01 -42.36 94.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.837 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.91 96.31 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.896 -1.355 . . . . 0.0 109.052 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.9 -39.87 90.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.013 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.446 ' O ' ' OG1' ' C' ' 40' ' ' THR . 51.4 t-20 -60.09 -40.03 88.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 109.829 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.96 -39.9 87.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.937 -1.102 . . . . 0.0 108.202 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.128 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 49.7 p -60.11 -43.05 95.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.872 -1.143 . . . . 0.0 109.039 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.573 HH22 ' CG ' ' A' ' 82' ' ' ASN . 46.3 mtt-85 -63.2 -40.09 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.441 178.694 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.41 -42.85 92.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.436 -0.79 . . . . 0.0 109.618 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.979 -1.076 . . . . 0.0 109.837 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.03 98.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.009 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.414 HG22 HD11 ' C' ' 45' ' ' ILE . 88.1 mt -60.35 -39.85 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.524 -0.735 . . . . 0.0 109.256 179.195 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -40.73 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.967 . . . . 0.0 109.275 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.52 -41.69 97.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.097 -1.002 . . . . 0.0 109.293 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -69.97 -37.71 75.87 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 109.235 179.181 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.08 -40.32 89.13 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.91 -1.119 . . . . 0.0 108.836 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.28 -40.53 90.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.654 -1.279 . . . . 0.0 108.148 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.09 -39.98 87.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.539 -0.726 . . . . 0.0 109.066 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -39.87 78.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.126 -0.984 . . . . 0.0 108.464 -179.776 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.12 82.66 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.984 -1.073 . . . . 0.0 108.428 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.878 . . . . 0.0 109.786 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.64 116.47 10.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.889 -1.132 . . . . 0.0 108.684 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.1 m120 -132.93 -60.2 0.87 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.422 -0.799 . . . . 0.0 110.366 -179.484 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.46 117.0 3.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.283 -0.886 . . . . 0.0 109.946 -179.063 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -100.1 126.43 46.33 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.305 -0.872 . . . . 0.0 110.58 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 62.86 28.22 71.46 Favored Glycine 0 N--CA 1.492 2.423 0 C-N-CA 120.22 -0.991 . . . . 0.0 111.012 178.406 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -78.85 23.89 0.32 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.747 -1.443 . . . . 0.0 110.071 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.58 107.78 1.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.709 -1.245 . . . . 0.0 110.892 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.14 12.09 23.56 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.234 -0.916 . . . . 0.0 109.882 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -133.79 23.76 3.95 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.44 152.54 34.44 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -101.35 57.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.166 -0.959 . . . . 0.0 108.624 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.2 158.04 43.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.618 -0.676 . . . . 0.0 109.368 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -129.41 134.99 48.13 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 68' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' C' ' 68' ' ' THR . 9.0 t -89.02 112.5 23.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.784 -1.197 . . . . 0.0 109.577 -178.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 8.1 t -116.22 121.94 43.55 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 85.4 t -127.92 82.78 67.74 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.446 -0.784 . . . . 0.0 109.549 -179.024 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.72 61.06 5.22 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.849 2.366 . . . . 0.0 111.58 179.425 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -70.09 130.2 89.96 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.675 -0.641 . . . . 0.0 109.668 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -40.7 150.21 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.424 1.416 . . . . 0.0 111.021 179.008 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.5 OUTLIER -129.05 -42.65 1.37 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.214 -0.929 . . . . 0.0 110.011 -178.91 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 123.93 35.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.233 -179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 6.5 p -83.77 102.9 12.63 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.91 134.73 35.78 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.407 0.622 . . . . 0.0 109.694 -178.206 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' C' ' 78' ' ' THR . 14.1 t -95.1 111.36 54.51 Favored Pre-proline 0 N--CA 1.492 1.636 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -93.02 -47.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.014 0 C-N-CA 121.673 1.582 . . . . 0.0 114.243 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.19 -45.59 2.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.299 -0.876 . . . . 0.0 113.273 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.3 p90 -60.02 -55.12 37.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.174 -1.578 . . . . 0.0 112.278 -176.374 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.72 41.3 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 119.916 -1.74 . . . . 0.0 109.709 -179.611 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.04 -47.85 84.15 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.126 -0.984 . . . . 0.0 109.357 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.96 -40.58 98.11 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.067 -1.021 . . . . 0.0 109.696 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.3 p -68.45 -39.92 81.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.95 -1.094 . . . . 0.0 109.377 179.491 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.522 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 58.2 t-105 -61.42 -40.25 93.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 109.086 -179.679 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.96 91.1 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.831 -1.168 . . . . 0.0 108.944 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.78 -40.08 91.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.105 -0.997 . . . . 0.0 108.879 179.475 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.522 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 53.0 t90 -60.04 -49.96 75.62 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.249 -0.907 . . . . 0.0 109.38 179.159 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.67 -40.11 96.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.469 -0.769 . . . . 0.0 109.226 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' C' ' 91' ' ' ARG . 19.4 mmm-85 -60.24 -42.6 95.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.285 -0.885 . . . . 0.0 109.885 -179.816 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.19 -42.72 95.68 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.968 -1.082 . . . . 0.0 109.48 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.42 -40.38 87.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.12 -0.987 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.92 -46.38 89.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.197 -0.939 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -61.85 -43.1 99.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.937 -1.102 . . . . 0.0 109.857 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.82 -41.06 88.11 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.071 -1.018 . . . . 0.0 109.015 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.26 -46.51 89.56 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 0.0 109.029 179.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.44 -42.49 96.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.337 -0.852 . . . . 0.0 109.181 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -65.48 -40.42 93.1 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.227 -0.921 . . . . 0.0 109.749 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.71 -42.23 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 109.197 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 46.3 p -62.01 -43.54 98.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.153 -0.967 . . . . 0.0 109.568 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.48 77.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.48 -42.38 98.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 109.511 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.41 -44.5 95.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.007 -1.058 . . . . 0.0 109.128 179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -48.95 79.6 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.181 -0.95 . . . . 0.0 108.908 179.666 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.2 -42.09 97.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.295 -0.878 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.5 92.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.02 -49.84 76.1 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.209 -0.932 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.11 -49.93 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.285 -0.884 . . . . 0.0 109.507 179.536 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.45 -40.19 93.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.477 -179.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -46.12 90.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.221 -0.924 . . . . 0.0 109.537 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.23 -41.28 92.76 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 109.735 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -60.99 -49.8 75.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.975 -1.078 . . . . 0.0 109.531 179.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.33 -40.65 96.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 108.835 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . 0.587 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 70.8 t80 -59.96 -50.06 75.25 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.368 -0.832 . . . . 0.0 109.008 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.124 -0.985 . . . . 0.0 109.4 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.09 -40.22 88.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.421 -0.799 . . . . 0.0 109.684 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.01 -42.92 95.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . 0.587 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 34.4 mttp -60.0 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.049 -1.032 . . . . 0.0 110.252 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.12 -48.84 80.14 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -117.28 59.13 0.77 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.433 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.712 0 O-C-N 120.977 -1.077 . . . . 0.0 109.426 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.271 0.558 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -71.36 144.73 49.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 0.0 109.317 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -89.17 57.52 4.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.166 -0.958 . . . . 0.0 109.191 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.729 HH12 ' H ' ' A' ' 122' ' ' ASN . 43.9 mtp180 -63.51 -39.77 95.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.38 -0.825 . . . . 0.0 109.634 179.353 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.6 t -59.6 -43.36 93.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.159 -0.963 . . . . 0.0 108.783 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' A' ' 5' ' ' THR . 63.4 tp -62.49 -40.95 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.052 -1.03 . . . . 0.0 108.504 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.43 -37.58 80.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.682 -0.636 . . . . 0.0 109.342 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.97 90.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.15 62.49 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -59.64 -50.07 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.578 -0.954 . . . . 0.0 109.415 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.85 -44.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.119 -0.988 . . . . 0.0 108.691 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.15 -40.32 93.42 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.307 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.73 -41.88 91.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.464 -0.772 . . . . 0.0 109.644 -179.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.98 -40.59 93.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 109.539 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -60.09 -46.26 90.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 109.999 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.49 -41.28 93.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.564 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.58 -41.71 98.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.042 -1.036 . . . . 0.0 109.001 179.122 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.9 -45.75 91.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.256 -0.902 . . . . 0.0 109.452 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.31 -0.869 . . . . 0.0 109.623 -179.088 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.12 -41.31 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 109.088 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -49.46 83.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.201 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -61.7 -40.29 94.47 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.743 0.783 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.557 ' NH2' HD22 ' B' ' 99' ' ' ASN . 11.4 tpp180 -60.71 -39.44 88.58 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.03 -39.52 86.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.109 -0.995 . . . . 0.0 108.562 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -60.18 -42.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.399 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -67.18 -40.7 86.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.62 -1.3 . . . . 0.0 109.353 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.28 -41.07 92.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.121 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.0 -38.91 84.02 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.491 HH22 ' CD ' ' A' ' 97' ' ' GLU . 49.5 mtt-85 -60.07 -40.89 91.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.93 -1.106 . . . . 0.0 108.846 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 79.8 mt -62.23 -41.63 98.58 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.226 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.566 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 54.9 p -63.51 -39.63 94.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 109.606 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.566 ' N ' ' HG1' ' A' ' 31' ' ' THR . 53.8 t -60.62 -40.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -59.57 -43.48 93.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -45.12 96.01 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.5 m -60.19 -50.09 75.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -1.142 . . . . 0.0 108.803 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.11 -40.13 92.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 178.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.517 HD22 HD22 ' B' ' 82' ' ' ASN . 44.2 t-20 -59.56 -40.32 86.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.481 -0.762 . . . . 0.0 109.101 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.51 -39.42 87.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.711 -1.243 . . . . 0.0 108.758 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.36 -39.47 87.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.138 -0.976 . . . . 0.0 109.089 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 50.5 p -60.34 -43.46 96.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.025 -1.047 . . . . 0.0 108.939 -179.536 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.601 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 55.3 mtt-85 -62.24 -39.99 94.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.743 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.12 -45.08 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.592 -0.693 . . . . 0.0 109.956 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -60.13 -39.8 87.55 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.61 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.53 99.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.97 -1.081 . . . . 0.0 108.449 178.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.31 -39.63 81.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.53 -40.33 91.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.527 -178.226 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.03 -39.99 95.32 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.596 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 62.1 m-85 -69.78 -38.43 76.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.333 -0.854 . . . . 0.0 109.436 179.492 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD21 HE22 ' C' ' 52' ' ' GLN . 55.3 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 179.648 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.836 -1.165 . . . . 0.0 108.918 179.145 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.22 -39.83 91.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.637 -0.664 . . . . 0.0 109.992 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.624 ' NE2' HD22 ' B' ' 74' ' ' ASN . 26.0 mt-30 -60.28 -39.82 88.25 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.93 -1.106 . . . . 0.0 109.801 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.77 78.66 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.1 -38.19 82.23 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.502 -0.749 . . . . 0.0 109.053 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.46 115.74 7.42 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 26.6 m120 -133.14 -60.22 0.86 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.51 -0.744 . . . . 0.0 111.001 -179.028 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.12 116.98 4.11 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.943 -1.098 . . . . 0.0 110.812 -178.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.33 120.16 39.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.297 -0.877 . . . . 0.0 110.491 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.01 28.77 73.92 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.067 -1.063 . . . . 0.0 110.983 178.671 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.92 22.68 0.18 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.731 -1.452 . . . . 0.0 109.655 -179.2 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.58 113.15 2.0 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.021 -1.05 . . . . 0.0 110.29 179.041 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -109.01 12.29 25.34 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 178.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 55.3 mtp180 -131.23 23.27 4.84 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.092 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.513 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.82 151.87 34.23 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.797 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 t -103.16 59.0 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.177 -0.952 . . . . 0.0 108.742 179.277 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.77 158.1 43.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -128.66 132.46 48.08 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.6 t -89.99 113.05 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.723 -1.236 . . . . 0.0 109.437 -178.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.26 119.68 39.73 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 66.7 t -122.32 85.53 47.45 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.7 -0.625 . . . . 0.0 109.591 -179.138 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -86.65 63.35 4.64 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.899 2.399 . . . . 0.0 111.645 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 28.0 t90 -69.87 132.35 88.77 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.501 -0.749 . . . . 0.0 109.502 -179.4 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.6 Cg_exo -38.47 149.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.634 1.556 . . . . 0.0 111.087 179.463 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.619 HD22 ' NE2' ' C' ' 52' ' ' GLN . 18.2 t-20 -130.46 -46.65 1.08 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.151 -0.968 . . . . 0.0 109.826 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.5 123.27 35.68 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.4 p -83.14 106.07 14.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.2 mt -82.79 134.38 35.12 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.42 0.629 . . . . 0.0 109.409 -178.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 78' ' ' THR . 15.2 t -92.33 112.41 55.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.606 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -92.64 -48.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.432 1.421 . . . . 0.0 114.532 -178.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.4 -45.35 2.33 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.171 -0.955 . . . . 0.0 113.062 -177.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.55 32.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.253 -1.529 . . . . 0.0 112.738 -176.149 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -76.38 -39.74 52.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 119.976 -1.702 . . . . 0.0 109.749 -179.275 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.12 -45.18 93.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.57 -42.08 95.91 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.001 . . . . 0.0 108.498 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 53.6 p -68.7 -39.94 80.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.197 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.413 ' N ' ' HG1' ' A' ' 85' ' ' THR . 41.0 t-105 -61.52 -39.81 92.38 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 -179.785 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.79 92.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.013 -1.054 . . . . 0.0 108.668 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -41.83 97.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.917 -1.115 . . . . 0.0 108.561 178.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.456 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.9 t90 -60.07 -49.45 77.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.921 . . . . 0.0 109.675 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.58 -40.52 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.086 -1.009 . . . . 0.0 109.835 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.89 -40.69 87.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -60.39 -41.07 93.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.806 -1.184 . . . . 0.0 108.677 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.9 -40.46 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.177 -0.952 . . . . 0.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.53 -40.84 96.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.597 -0.69 . . . . 0.0 110.71 -179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.75 -39.97 84.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.713 -1.242 . . . . 0.0 109.001 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.32 -40.26 93.49 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.491 ' CD ' HH22 ' A' ' 29' ' ' ARG . 40.9 tt0 -60.26 -48.77 80.32 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -0.95 . . . . 0.0 109.275 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.0 93.35 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.595 HD22 ' NH2' ' C' ' 23' ' ' ARG . 39.9 t-20 -64.65 -44.92 88.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.1 -41.87 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.139 -0.975 . . . . 0.0 109.34 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -60.81 -41.0 94.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 179.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.34 77.92 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.15 -0.969 . . . . 0.0 108.866 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.32 -43.1 96.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.443 -0.786 . . . . 0.0 109.601 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.85 -41.27 95.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.215 -0.928 . . . . 0.0 108.785 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.07 -44.56 97.19 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.576 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' A' ' 110' ' ' GLN . 99.4 mt-10 -64.66 -40.07 94.78 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.151 -0.968 . . . . 0.0 109.394 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.39 96.23 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.494 -0.754 . . . . 0.0 109.79 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.83 -45.73 91.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.57 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.88 -49.19 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLU . 1.8 mp0 -67.0 -40.26 87.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.87 -1.144 . . . . 0.0 109.799 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.03 -49.05 79.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.341 -0.849 . . . . 0.0 109.376 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.86 -41.78 97.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 0.0 109.293 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -61.68 -40.51 95.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.06 -1.025 . . . . 0.0 109.576 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.43 -44.87 95.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.053 -1.029 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -68.94 -39.91 79.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.175 -0.953 . . . . 0.0 108.617 179.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.18 -45.6 92.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.258 179.369 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.34 -39.51 87.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 109.621 179.299 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.446 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 42.2 tp -59.42 -40.35 86.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 108.826 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.02 -39.83 94.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.969 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.84 -34.27 72.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.113 . . . . 0.0 109.816 -179.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 63.8 mt -54.4 -48.57 71.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.737 -1.227 . . . . 0.0 108.872 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.729 ' H ' HH12 ' A' ' 4' ' ' ARG . 6.9 t-20 -129.25 63.01 1.51 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.103 -0.998 . . . . 0.0 109.175 179.322 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.41 179.835 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 121.395 0.616 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.63 144.78 49.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.022 -1.049 . . . . 0.0 109.23 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -89.03 57.42 4.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.872 . . . . 0.0 109.105 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.706 HH12 ' H ' ' B' ' 122' ' ' ASN . 44.4 mtp180 -63.53 -39.65 94.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.486 -0.759 . . . . 0.0 109.683 179.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.8 t -59.89 -43.34 94.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.189 -0.944 . . . . 0.0 108.588 -179.545 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.451 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.9 tp -62.68 -40.73 98.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 108.494 178.686 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.41 -37.73 80.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.033 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.79 89.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -47.75 62.82 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 178.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.49 -49.6 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.531 -0.982 . . . . 0.0 109.35 179.355 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -43.96 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.081 -1.012 . . . . 0.0 108.59 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.72 -40.92 94.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 108.881 178.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.61 -41.6 90.73 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.629 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.38 -40.21 93.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.113 -0.992 . . . . 0.0 109.789 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -60.35 -46.1 91.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 109.915 -179.46 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.77 -41.71 96.03 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.03 -1.043 . . . . 0.0 109.689 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.09 -41.26 99.37 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.64 -44.92 95.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.328 -0.857 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.49 -47.4 86.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.731 -179.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.28 -41.42 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.316 -0.953 . . . . 0.0 109.134 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.69 -49.59 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.368 -0.832 . . . . 0.0 108.901 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.6 -40.11 93.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.458 -0.776 . . . . 0.0 108.991 179.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.567 ' NH2' HD22 ' C' ' 99' ' ' ASN . 11.3 tpp180 -60.83 -39.11 87.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 109.037 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.22 -39.32 86.22 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -59.77 -42.5 93.43 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 109.593 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.77 -40.12 84.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.773 -1.204 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.49 -40.61 91.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.294 -0.878 . . . . 0.0 109.003 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.55 -39.03 86.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.697 -0.627 . . . . 0.0 109.472 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.504 ' NH1' ' OE1' ' B' ' 97' ' ' GLU . 51.3 mtt-85 -60.14 -40.57 90.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.154 -0.966 . . . . 0.0 108.923 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.7 mt -62.5 -41.25 98.69 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.051 -1.031 . . . . 0.0 109.236 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.56 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 54.5 p -63.76 -40.41 96.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.163 -0.961 . . . . 0.0 109.564 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.56 ' N ' ' HG1' ' B' ' 31' ' ' THR . 57.1 t -59.7 -40.18 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 108.914 179.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.08 -42.91 95.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.523 -0.736 . . . . 0.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.13 96.42 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 109.778 -179.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.892 -1.358 . . . . 0.0 109.111 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -40.56 94.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.615 178.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.551 HD22 HD22 ' C' ' 82' ' ' ASN . 43.3 t-20 -58.91 -40.67 85.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.152 -0.967 . . . . 0.0 109.262 -179.686 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -40.38 86.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.759 -1.213 . . . . 0.0 108.64 179.351 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.89 -40.35 88.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.237 -0.914 . . . . 0.0 108.977 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 51.9 p -59.67 -44.06 93.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.824 -1.172 . . . . 0.0 109.1 -179.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.585 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 55.3 mtt-85 -61.68 -40.33 94.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.906 -1.121 . . . . 0.0 108.585 178.474 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.98 -44.64 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.594 -0.691 . . . . 0.0 110.037 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -60.17 -40.36 89.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.707 -1.245 . . . . 0.0 109.546 -179.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.84 99.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.016 -1.052 . . . . 0.0 108.544 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.11 -39.93 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.79 -40.56 88.74 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.829 -178.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.13 -40.18 95.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.373 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -69.76 -38.42 76.75 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.141 -0.974 . . . . 0.0 109.481 179.312 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.417 HD21 HE22 ' A' ' 52' ' ' GLN . 57.6 mt -59.78 -41.21 90.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.0 109.476 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.76 -40.29 91.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.94 -1.1 . . . . 0.0 108.685 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.15 -40.44 89.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.705 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.622 ' NE2' HD22 ' C' ' 74' ' ' ASN . 27.1 mt-30 -60.37 -39.65 87.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.743 -1.223 . . . . 0.0 109.553 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.53 78.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.142 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.24 -38.59 83.92 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.32 116.46 8.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 108.347 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 28.6 m120 -133.43 -60.45 0.84 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.436 -0.79 . . . . 0.0 111.114 -179.017 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.98 117.3 4.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.031 -1.043 . . . . 0.0 110.662 -178.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -100.46 120.49 40.07 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.467 -0.771 . . . . 0.0 110.294 179.709 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.94 29.16 74.45 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.322 -0.942 . . . . 0.0 110.948 178.542 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.88 23.04 0.18 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.771 -1.429 . . . . 0.0 109.52 -179.463 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.19 113.44 2.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.939 -1.101 . . . . 0.0 110.21 178.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -109.6 12.49 24.28 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.304 -0.873 . . . . 0.0 109.665 178.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.49 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 55.3 mtp180 -131.76 23.43 4.65 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.108 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.01 152.22 34.55 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.473 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 t -103.78 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.167 -0.958 . . . . 0.0 108.691 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.16 158.01 43.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.451 -0.781 . . . . 0.0 110.035 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -128.83 132.86 47.84 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.5 t -90.16 112.67 24.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.712 -1.243 . . . . 0.0 109.685 -178.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.92 118.66 36.71 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.506 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 66.8 t -120.93 85.79 40.78 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.509 -0.744 . . . . 0.0 109.424 -179.331 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.7 62.61 4.53 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.996 2.464 . . . . 0.0 111.649 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' B' ' 73' ' ' PRO . 29.6 t90 -69.85 132.78 88.57 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.459 -0.775 . . . . 0.0 109.399 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' B' ' 72' ' ' TRP . 90.2 Cg_exo -38.99 149.75 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 121.708 1.606 . . . . 0.0 110.969 179.38 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.624 HD22 ' NE2' ' A' ' 52' ' ' GLN . 18.5 t-20 -130.47 -45.32 1.09 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.331 -0.855 . . . . 0.0 109.84 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.58 123.56 36.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 108.834 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -83.34 106.06 14.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.73 134.33 35.14 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.479 0.657 . . . . 0.0 109.334 -178.075 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' B' ' 78' ' ' THR . 15.3 t -92.25 112.31 54.55 Favored Pre-proline 0 N--CA 1.491 1.621 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -92.74 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.462 1.442 . . . . 0.0 114.631 -178.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -121.72 -45.28 2.29 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.321 -0.862 . . . . 0.0 112.967 -177.122 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -60.31 -55.86 28.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.512 -1.368 . . . . 0.0 112.591 -176.183 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -76.09 -40.01 54.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.943 -1.723 . . . . 0.0 109.766 -179.194 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.96 -45.45 92.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.206 -0.934 . . . . 0.0 109.688 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -42.62 94.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.883 -1.136 . . . . 0.0 108.584 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.403 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 61.2 p -68.47 -39.97 81.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.07 179.524 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.403 ' N ' ' HG1' ' B' ' 85' ' ' THR . 40.3 t-105 -61.18 -40.29 93.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.012 -1.055 . . . . 0.0 108.835 179.803 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.14 -42.11 89.9 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.316 -0.954 . . . . 0.0 108.792 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -41.77 97.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.981 -1.075 . . . . 0.0 108.735 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.438 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.6 t90 -60.12 -49.77 76.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.685 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.305 -0.872 . . . . 0.0 109.472 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -66.38 -40.35 89.64 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.368 -0.833 . . . . 0.0 110.154 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -60.0 -42.74 94.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.932 -1.105 . . . . 0.0 108.532 179.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.51 -40.98 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.281 -0.887 . . . . 0.0 109.027 178.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -61.11 -40.77 95.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.256 -0.903 . . . . 0.0 110.927 -179.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -67.82 -40.25 83.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.636 -1.29 . . . . 0.0 108.928 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.68 -40.87 96.15 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.746 . . . . 0.0 109.377 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.504 ' OE1' ' NH1' ' B' ' 29' ' ' ARG . 40.3 tt0 -60.05 -49.0 79.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.854 . . . . 0.0 109.187 179.621 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.07 -40.39 93.47 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.211 -0.931 . . . . 0.0 109.192 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.557 HD22 ' NH2' ' A' ' 23' ' ' ARG . 39.3 t-20 -64.51 -44.97 89.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.17 -42.11 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.084 -1.01 . . . . 0.0 109.397 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 44.8 p -60.75 -40.89 94.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.19 78.5 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.125 -0.984 . . . . 0.0 109.175 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.55 -44.11 96.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 0.0 109.566 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.59 -41.82 98.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.153 -0.967 . . . . 0.0 108.957 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -60.9 -43.76 98.05 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.296 -0.878 . . . . 0.0 109.325 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 110' ' ' GLN . 98.1 mt-10 -64.72 -40.63 95.67 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.042 -1.036 . . . . 0.0 109.032 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.434 -0.791 . . . . 0.0 109.876 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.999 -1.063 . . . . 0.0 109.365 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.99 -49.63 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.769 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 106' ' ' GLU . 1.8 mp0 -67.5 -39.94 85.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.135 -0.978 . . . . 0.0 109.691 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.23 -48.93 79.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.009 -1.057 . . . . 0.0 109.487 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.59 -41.81 98.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.39 -0.819 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -61.01 -40.78 94.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.095 -1.003 . . . . 0.0 109.394 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.58 -44.54 96.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.992 -1.068 . . . . 0.0 109.252 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.4 ttt -69.27 -39.97 78.07 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.577 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.6 -45.02 95.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.887 . . . . 0.0 109.26 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.34 -39.6 87.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.321 -0.862 . . . . 0.0 109.58 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.451 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 42.9 tp -59.73 -39.98 86.5 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.117 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.19 -39.87 94.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.268 -0.895 . . . . 0.0 109.923 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -59.74 -34.69 73.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.091 -1.006 . . . . 0.0 109.796 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 65.6 mt -54.2 -48.45 70.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.762 -1.211 . . . . 0.0 109.088 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . 0.706 ' H ' HH12 ' B' ' 4' ' ' ARG . 7.3 t-20 -129.3 63.11 1.51 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.216 -0.927 . . . . 0.0 108.97 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.361 179.986 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.01 145.02 50.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 0.0 108.984 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -88.96 57.69 4.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.874 -1.141 . . . . 0.0 109.349 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.722 HH12 ' H ' ' C' ' 122' ' ' ASN . 42.7 mtp180 -64.05 -39.44 94.1 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 110.123 179.311 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.5 -43.43 93.34 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.203 -0.936 . . . . 0.0 108.66 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.455 ' N ' ' CG2' ' C' ' 5' ' ' THR . 63.9 tp -62.39 -41.04 98.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.949 -1.095 . . . . 0.0 108.399 178.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.05 -37.63 81.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.367 -0.833 . . . . 0.0 109.229 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.23 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.64 -47.65 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.93 -50.06 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.524 -0.986 . . . . 0.0 109.394 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.17 -44.29 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.003 -1.061 . . . . 0.0 108.64 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.95 -40.29 92.75 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -59.23 -42.35 90.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 110.045 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.08 -40.48 93.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 109.727 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.02 -46.65 88.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.13 -42.29 94.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.536 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.38 -41.63 98.78 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.924 -1.11 . . . . 0.0 109.101 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.58 -45.22 94.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.352 -0.842 . . . . 0.0 109.268 -179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.62 -47.73 84.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.27 -41.05 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.354 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.3 -49.62 83.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.465 -0.772 . . . . 0.0 109.028 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.58 -40.41 94.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.815 -0.754 . . . . 0.0 108.997 179.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.595 ' NH2' HD22 ' A' ' 99' ' ' ASN . 11.5 tpp180 -59.5 -40.29 86.57 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.451 -0.78 . . . . 0.0 109.193 179.494 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.78 -39.39 84.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 108.938 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.09 -42.29 94.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.219 -0.925 . . . . 0.0 109.688 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.82 -40.31 83.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.754 -1.217 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 36.7 tp -59.92 -41.25 91.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.453 -0.78 . . . . 0.0 109.21 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.29 -38.62 84.17 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.611 -0.681 . . . . 0.0 109.345 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' C' ' 97' ' ' GLU . 50.2 mtt-85 -60.16 -40.49 90.09 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.117 -0.99 . . . . 0.0 108.884 -179.236 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 81.2 mt -62.5 -40.99 98.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.038 -1.039 . . . . 0.0 109.399 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.555 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 50.1 p -63.93 -40.29 96.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.178 -0.951 . . . . 0.0 109.455 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.555 ' N ' ' HG1' ' C' ' 31' ' ' THR . 53.1 t -59.82 -40.38 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -59.95 -43.56 94.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.19 95.44 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.924 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.3 -49.88 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.806 -1.408 . . . . 0.0 109.103 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.55 -40.15 93.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.45 -0.781 . . . . 0.0 109.458 179.023 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.581 HD22 HD22 ' A' ' 82' ' ' ASN . 41.5 t-20 -59.07 -40.89 86.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.471 -0.768 . . . . 0.0 109.118 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.67 -40.03 86.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.841 -1.162 . . . . 0.0 108.71 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.23 -40.28 89.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 108.834 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 57.0 p -59.72 -43.72 94.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.953 -1.092 . . . . 0.0 109.063 -179.301 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.63 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 54.1 mtt-85 -62.35 -39.36 92.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.995 -1.065 . . . . 0.0 108.81 178.437 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.94 -44.54 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.607 -0.683 . . . . 0.0 109.739 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -60.01 -40.89 90.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.773 -1.204 . . . . 0.0 109.457 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.63 99.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.976 -1.077 . . . . 0.0 108.78 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.33 -39.54 81.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.89 -40.67 89.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 0.0 109.603 -178.517 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.98 -40.33 96.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.791 -1.193 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.3 m-85 -69.81 -38.03 76.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.0 109.385 179.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . 0.411 HD21 HE22 ' B' ' 52' ' ' GLN . 56.0 mt -60.11 -41.09 91.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.617 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.46 -40.34 90.84 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.042 -1.036 . . . . 0.0 108.678 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.49 -40.31 90.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 110.441 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.619 ' NE2' HD22 ' A' ' 74' ' ' ASN . 26.8 mt-30 -60.21 -39.98 88.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.604 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.06 78.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.096 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.3 -38.26 83.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.69 116.5 8.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.015 -1.053 . . . . 0.0 108.398 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 28.5 m120 -133.34 -59.92 0.86 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.365 -0.834 . . . . 0.0 110.97 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.33 117.11 4.07 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.034 -1.041 . . . . 0.0 110.814 -178.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -100.22 120.05 39.3 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.176 -0.952 . . . . 0.0 110.263 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.4 29.84 75.54 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 119.979 -1.105 . . . . 0.0 110.811 178.431 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.4 22.61 0.23 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.687 -1.478 . . . . 0.0 109.418 -179.631 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.02 113.36 2.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.831 -1.168 . . . . 0.0 110.196 179.132 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -109.59 12.2 24.43 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.319 -0.863 . . . . 0.0 109.536 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.482 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 53.4 mtp180 -131.26 23.39 4.83 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.03 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.525 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.92 152.21 34.65 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.604 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -103.67 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.06 -1.025 . . . . 0.0 108.849 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.27 158.24 43.6 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.896 . . . . 0.0 110.021 179.709 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -128.71 132.8 48.02 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -90.55 112.55 24.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.602 -1.311 . . . . 0.0 109.704 -178.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.05 119.65 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.506 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 63.9 t -121.97 85.21 45.41 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.594 -0.691 . . . . 0.0 109.382 -178.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -86.17 63.15 5.09 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.86 2.373 . . . . 0.0 111.84 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.403 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 28.5 t90 -70.05 132.93 88.09 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.464 -0.772 . . . . 0.0 109.491 -179.351 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.403 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.8 Cg_exo -38.9 149.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.245 0 C-N-CA 121.725 1.617 . . . . 0.0 110.79 179.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.622 HD22 ' NE2' ' B' ' 52' ' ' GLN . 18.5 t-20 -130.66 -44.95 1.08 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.182 -0.949 . . . . 0.0 109.874 -179.193 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.23 37.46 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.062 -1.023 . . . . 0.0 108.855 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.4 p -82.77 105.44 13.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.38 134.43 35.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.476 0.655 . . . . 0.0 109.413 -178.425 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' C' ' 78' ' ' THR . 15.1 t -92.32 112.68 56.41 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -92.84 -48.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.115 0 C-N-CA 121.627 1.551 . . . . 0.0 114.889 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.55 -45.44 2.31 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.146 -0.971 . . . . 0.0 112.985 -177.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.679 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -60.14 -55.63 31.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.308 -1.495 . . . . 0.0 112.685 -176.059 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.679 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -76.13 -39.88 54.04 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 119.966 -1.709 . . . . 0.0 109.837 -179.206 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -60.52 -45.1 95.08 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.457 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.4 -42.78 96.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 108.339 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 85' ' ' THR . . . . . 0.422 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 56.3 p -67.84 -40.26 83.74 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.376 -0.828 . . . . 0.0 109.296 179.398 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.422 ' N ' ' HG1' ' C' ' 85' ' ' THR . 40.8 t-105 -61.19 -40.21 93.06 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.207 -0.933 . . . . 0.0 108.957 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.58 -42.41 92.42 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.944 -1.097 . . . . 0.0 108.644 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.29 -42.24 95.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.082 . . . . 0.0 108.496 178.1 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.6 t90 -60.32 -48.92 79.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.06 -1.025 . . . . 0.0 109.648 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.71 -40.79 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.293 -0.879 . . . . 0.0 109.645 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -67.28 -39.67 86.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.72 -41.98 96.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.017 -1.073 . . . . 0.0 108.505 178.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.19 -40.62 89.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.367 -0.833 . . . . 0.0 108.993 178.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -61.11 -40.69 94.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.984 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.35 -40.11 81.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.738 -1.226 . . . . 0.0 108.845 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.4 -40.52 95.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.382 -0.824 . . . . 0.0 109.578 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . 0.506 ' OE1' ' NH1' ' C' ' 29' ' ' ARG . 40.0 tt0 -60.15 -49.44 77.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.026 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.74 -40.47 92.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.25 -0.906 . . . . 0.0 109.179 179.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.567 HD22 ' NH2' ' B' ' 23' ' ' ARG . 39.8 t-20 -64.74 -44.21 90.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 110.084 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.15 -41.53 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.129 -0.982 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.9 p -60.98 -40.62 94.14 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.189 -0.945 . . . . 0.0 108.952 179.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.1 78.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.921 . . . . 0.0 109.017 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.24 -44.01 95.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.545 179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.09 -41.6 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.851 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.328 -0.857 . . . . 0.0 109.095 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . 0.434 ' O ' ' OE1' ' C' ' 110' ' ' GLN . 98.7 mt-10 -64.77 -40.43 95.25 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.271 -0.893 . . . . 0.0 109.12 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.24 95.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.232 -0.918 . . . . 0.0 109.996 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.06 -46.54 89.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.0 109.373 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.55 -49.79 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.341 -0.849 . . . . 0.0 109.772 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' C' ' 106' ' ' GLU . 2.0 mp0 -66.81 -40.24 87.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.093 -1.004 . . . . 0.0 109.792 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.93 -48.51 81.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.314 -0.866 . . . . 0.0 109.474 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.45 -41.35 96.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.296 -0.878 . . . . 0.0 109.34 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -62.24 -39.89 94.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.873 . . . . 0.0 109.543 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.998 -1.064 . . . . 0.0 109.416 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.43 -40.3 81.24 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.084 -1.01 . . . . 0.0 108.628 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -60.18 -45.6 92.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.491 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.15 -39.29 85.85 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.809 0.814 . . . . 0.0 109.665 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . 0.437 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 43.1 tp -59.56 -40.38 87.1 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.044 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.26 -39.61 94.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.978 . . . . 0.0 110.044 179.329 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.26 -33.13 71.88 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.916 -1.115 . . . . 0.0 109.83 -179.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 65.9 mt -55.23 -48.36 74.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.729 -1.232 . . . . 0.0 108.887 179.536 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . 0.722 ' H ' HH12 ' C' ' 4' ' ' ARG . 6.8 t-20 -129.44 62.88 1.52 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.086 -1.009 . . . . 0.0 109.18 179.119 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.332 -179.997 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.471 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 88.5 mt-30 -69.16 142.66 54.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.363 -179.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -91.15 59.1 3.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.26 -0.9 . . . . 0.0 109.384 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 55.6 mtt-85 -65.38 -39.66 92.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.397 -0.815 . . . . 0.0 109.119 179.071 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -59.91 -42.02 92.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.312 -0.867 . . . . 0.0 109.327 -179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.24 -41.46 98.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 108.736 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.3 -39.37 86.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.332 -0.855 . . . . 0.0 109.679 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.69 89.18 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.048 -1.033 . . . . 0.0 108.832 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.52 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.46 -48.79 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.453 -1.028 . . . . 0.0 109.584 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.05 -47.04 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.152 -0.968 . . . . 0.0 109.406 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.15 -39.58 86.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.185 -0.947 . . . . 0.0 109.31 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -60.04 -41.57 92.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 0.0 109.465 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.002 -1.061 . . . . 0.0 109.366 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.37 -45.43 93.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.105 -0.997 . . . . 0.0 109.032 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.29 -43.73 96.01 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -0.987 . . . . 0.0 109.781 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.84 -42.59 99.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 179.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.74 -41.47 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.845 . . . . 0.0 108.919 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 19' ' ' ASP . 50.9 t0 -60.21 -48.78 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.792 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.34 -40.12 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.0 109.596 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -41.81 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 108.571 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.5 -40.15 95.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.586 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.2 mmt180 -61.11 -40.74 94.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.6 -39.99 90.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.557 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.92 -49.65 76.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.122 -0.986 . . . . 0.0 109.651 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.85 -40.7 98.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.083 . . . . 0.0 109.227 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.56 -40.6 97.35 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.354 -0.842 . . . . 0.0 108.875 179.211 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 31' ' ' THR . 22.4 mt -60.86 -39.97 91.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.431 -0.793 . . . . 0.0 109.59 179.628 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.24 -40.22 89.47 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.988 -1.07 . . . . 0.0 109.267 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.7 mt -61.59 -40.04 93.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.377 -0.827 . . . . 0.0 109.56 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 81.4 p -63.32 -40.03 96.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.066 -1.021 . . . . 0.0 109.709 -179.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.66 -40.99 86.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.415 -0.803 . . . . 0.0 109.18 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.03 -41.28 91.89 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 110.04 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -49.94 73.05 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -60.02 -49.0 79.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.071 -1.252 . . . . 0.0 109.867 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.18 -39.87 88.02 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -0.87 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.656 HD22 ' NH2' ' A' ' 41' ' ' ARG . 56.1 t-20 -60.03 -39.91 87.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.267 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.38 -39.96 89.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 0.0 109.508 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.11 -39.94 87.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.066 -1.021 . . . . 0.0 109.303 -179.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.7 p -60.1 -40.71 90.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.693 -1.255 . . . . 0.0 108.435 179.234 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.656 ' NH2' HD22 ' A' ' 37' ' ' ASN . 26.1 mtt-85 -63.7 -40.29 96.42 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.8 -41.08 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.648 -0.658 . . . . 0.0 109.415 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 40' ' ' THR . 66.1 p -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.909 -1.119 . . . . 0.0 109.618 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.02 78.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.809 -1.182 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 45' ' ' ILE . 85.7 mt -61.03 -40.02 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.878 . . . . 0.0 111.241 -178.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.06 -38.56 88.62 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.373 -1.454 . . . . 0.0 108.865 179.646 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.76 -49.06 79.21 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.362 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.569 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 36.9 m-85 -61.12 -40.04 92.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.006 -1.059 . . . . 0.0 109.727 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -39.89 87.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.92 -39.11 84.34 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.773 -1.205 . . . . 0.0 108.002 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.72 -39.58 85.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.501 -0.749 . . . . 0.0 109.406 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' NE2' ' OD1' ' B' ' 74' ' ' ASN . 2.8 mp0 -59.83 -39.79 86.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.782 -1.199 . . . . 0.0 108.995 179.195 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.87 76.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.873 -1.142 . . . . 0.0 108.016 179.275 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.08 -39.92 87.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 108.914 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -70.2 115.74 9.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.03 -1.044 . . . . 0.0 108.945 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.656 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.7 m-80 -133.61 -65.55 0.67 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.328 -0.858 . . . . 0.0 110.253 -179.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.51 118.57 5.1 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.191 -0.943 . . . . 0.0 109.81 -179.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -99.53 123.19 43.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.254 -0.904 . . . . 0.0 110.693 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.481 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 62.38 30.97 77.78 Favored Glycine 0 N--CA 1.492 2.409 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.397 178.058 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.94 22.6 0.14 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.516 -1.579 . . . . 0.0 109.387 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.21 116.86 2.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.117 -0.989 . . . . 0.0 109.302 179.402 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.468 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -116.87 11.78 14.53 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 121.223 -0.923 . . . . 0.0 110.973 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.609 ' NH1' ' NH1' ' B' ' 63' ' ' ARG . 61.8 mtp180 -138.14 24.88 2.75 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.404 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' NE2' ' CD1' ' C' ' 62' ' ' PHE . 39.1 mt-30 -141.55 152.17 43.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.205 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.77 56.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -0.937 . . . . 0.0 108.681 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.42 157.19 42.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.448 -0.782 . . . . 0.0 109.541 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -130.05 135.01 47.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.486 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.7 t -89.91 113.87 25.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.657 -1.277 . . . . 0.0 109.952 -178.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 t -114.02 122.8 48.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.656 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 74.3 t -130.02 83.96 61.94 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.452 -0.78 . . . . 0.0 109.57 -179.051 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.31 62.46 5.8 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.782 2.321 . . . . 0.0 111.812 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' PRO . 20.9 t90 -69.72 132.03 89.23 Favored Pre-proline 0 N--CA 1.487 1.41 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.4 Cg_exo -39.2 147.13 0.15 Allowed 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.506 1.471 . . . . 0.0 111.213 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.578 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 58.4 t-20 -132.57 2.51 3.79 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.871 0.843 . . . . 0.0 109.023 -179.259 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.43 8.34 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.326 -0.859 . . . . 0.0 108.835 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -81.54 108.05 14.8 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.95 134.56 35.73 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.409 0.623 . . . . 0.0 109.35 -178.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.6 t -90.85 114.19 60.57 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 0.0 109.25 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.45 -46.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.844 1.696 . . . . 0.0 113.815 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 82.9 tttt -121.51 -45.47 2.31 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.265 -0.897 . . . . 0.0 113.354 -176.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.0 p90 -61.45 -45.25 95.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.389 -1.444 . . . . 0.0 113.751 -175.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.7 t30 -77.6 -49.18 15.12 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.697 -1.877 . . . . 0.0 111.174 -178.639 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.7 p-10 -60.06 -49.73 76.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.954 -1.091 . . . . 0.0 110.313 -178.452 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.92 -45.0 96.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.74 -1.225 . . . . 0.0 109.597 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -68.62 -40.08 80.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.243 -0.91 . . . . 0.0 109.717 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.14 -40.1 93.95 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.053 -1.03 . . . . 0.0 109.503 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.13 -40.04 88.36 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.55 -1.344 . . . . 0.0 108.438 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.418 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.1 t90 -60.03 -48.14 82.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.486 -0.758 . . . . 0.0 109.46 178.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.86 -39.99 95.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.093 -1.004 . . . . 0.0 109.378 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -62.21 -42.66 99.5 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.584 -0.698 . . . . 0.0 110.21 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.07 -43.03 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.798 -1.189 . . . . 0.0 109.281 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.92 -42.22 91.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.5 179.54 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -61.17 -40.3 93.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.22 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -68.9 -39.99 79.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.667 -1.27 . . . . 0.0 109.608 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.111 -0.993 . . . . 0.0 108.82 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.51 -48.24 82.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.56 -0.712 . . . . 0.0 109.816 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 101' ' ' THR . 87.0 tt0 -60.32 -44.28 95.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.407 -179.583 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.596 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.52 -45.0 95.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.14 -42.89 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 109.555 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.455 ' HG1' ' N ' ' A' ' 102' ' ' ALA . 44.8 p -60.31 -44.39 95.49 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.046 179.801 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.455 ' N ' ' HG1' ' A' ' 101' ' ' THR . . . -60.98 -48.72 80.51 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -44.51 94.71 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.6 -42.82 97.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.99 -49.21 78.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.78 -40.94 96.94 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.319 -0.863 . . . . 0.0 109.708 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.2 93.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.224 -0.922 . . . . 0.0 109.617 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.12 -44.09 97.39 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.347 179.511 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.98 -50.06 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.209 -0.932 . . . . 0.0 109.849 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -68.56 -40.25 80.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.733 -1.229 . . . . 0.0 110.046 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.08 -45.59 92.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 109.681 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.42 -40.19 77.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.186 -0.946 . . . . 0.0 109.551 -179.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.0 -40.15 90.91 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -0.904 . . . . 0.0 109.942 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -43.91 97.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.127 -0.983 . . . . 0.0 109.981 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.23 -41.11 86.24 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.164 -0.96 . . . . 0.0 108.909 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.596 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.5 t80 -60.33 -48.41 81.88 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.556 -0.715 . . . . 0.0 109.204 179.425 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.89 -40.1 94.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.491 -0.756 . . . . 0.0 109.449 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.93 -42.83 94.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.319 -0.863 . . . . 0.0 109.632 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.64 -41.48 97.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.979 -1.076 . . . . 0.0 109.971 -179.801 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.596 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 40.8 mmtm -62.65 -39.98 95.58 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.962 -1.086 . . . . 0.0 109.263 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 99.3 mt -59.95 -47.15 86.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -121.58 60.12 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.111 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.484 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 88.4 mt-30 -69.18 142.7 54.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.106 -0.996 . . . . 0.0 109.227 -179.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -91.15 58.95 3.85 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.415 -0.803 . . . . 0.0 109.494 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.484 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 55.6 mtt-85 -65.42 -39.33 91.99 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.395 -0.816 . . . . 0.0 109.044 179.072 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.2 t -59.91 -42.08 93.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.295 -0.878 . . . . 0.0 109.281 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.02 -41.66 98.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 108.795 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.07 -39.64 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.81 88.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.061 -1.024 . . . . 0.0 108.923 -179.215 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.98 80.01 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.15 -49.03 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.42 -1.047 . . . . 0.0 109.407 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.04 -46.96 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.031 -1.043 . . . . 0.0 109.464 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.205 -0.934 . . . . 0.0 109.132 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -59.91 -42.15 93.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.459 -0.775 . . . . 0.0 109.418 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.33 -42.14 95.02 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.103 -0.998 . . . . 0.0 109.427 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.18 -44.62 94.92 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.905 . . . . 0.0 109.215 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.2 -42.92 99.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.4 -42.58 99.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.047 -1.033 . . . . 0.0 109.228 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.46 -41.84 94.96 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 108.895 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.96 -48.68 80.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.42 -0.8 . . . . 0.0 109.717 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.38 -40.36 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 109.79 -179.505 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -41.61 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 0.0 108.498 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.51 -40.25 96.14 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.578 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.2 mmt180 -61.15 -40.99 95.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -40.09 89.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.513 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.92 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 0.0 109.456 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -41.93 98.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.87 -1.144 . . . . 0.0 109.247 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.7 -40.73 96.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.381 -0.824 . . . . 0.0 108.931 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' B' ' 31' ' ' THR . 22.3 mt -60.57 -39.95 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.319 -0.863 . . . . 0.0 109.663 179.443 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.67 -40.03 90.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.968 -1.082 . . . . 0.0 109.334 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.405 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.8 mt -61.8 -40.28 94.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 0.0 109.655 -179.85 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 79.8 p -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.063 -1.023 . . . . 0.0 109.788 -179.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.62 -40.7 85.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.293 -0.88 . . . . 0.0 109.22 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -60.3 -41.3 93.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 0.0 109.935 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -49.62 76.54 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.14 -49.15 78.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.036 -1.273 . . . . 0.0 109.758 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -59.97 -39.95 87.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.92 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.635 HD22 ' NH2' ' B' ' 41' ' ' ARG . 57.6 t-20 -59.92 -40.17 87.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 109.307 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.505 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.0 -39.9 87.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 -179.222 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.422 ' O ' ' OG1' ' B' ' 43' ' ' THR . 73.0 p -60.29 -40.44 90.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.219 . . . . 0.0 108.368 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.635 ' NH2' HD22 ' B' ' 37' ' ' ASN . 25.7 mtt-85 -64.25 -40.05 95.21 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.8 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.55 -41.52 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.568 -0.708 . . . . 0.0 109.391 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' B' ' 40' ' ' THR . 61.6 p -60.12 -40.04 88.33 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.723 -179.473 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.89 77.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.784 -1.198 . . . . 0.0 109.219 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.402 HD11 HG22 ' B' ' 45' ' ' ILE . 84.7 mt -60.68 -40.34 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.454 -0.779 . . . . 0.0 111.256 -179.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.84 -38.61 89.34 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.419 -1.426 . . . . 0.0 108.905 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.12 -48.76 80.38 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.248 -0.907 . . . . 0.0 109.239 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.569 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 37.3 m-85 -61.18 -40.12 92.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 109.674 179.273 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.85 -40.04 87.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -59.91 -39.33 85.06 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.802 -1.186 . . . . 0.0 107.992 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.26 -39.77 83.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.58 ' NE2' ' OD1' ' C' ' 74' ' ' ASN . 2.8 mp0 -59.81 -39.62 85.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.723 -1.236 . . . . 0.0 108.935 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.69 76.07 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.883 -1.135 . . . . 0.0 108.147 179.147 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.16 -39.58 86.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 108.785 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.56 115.98 10.36 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 108.932 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.678 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 71.4 m-80 -133.74 -65.73 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -0.755 . . . . 0.0 110.336 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.03 118.56 5.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.109 -0.994 . . . . 0.0 109.791 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -99.66 122.87 43.31 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.271 -0.893 . . . . 0.0 110.638 -179.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 62.98 30.4 77.3 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.382 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.98 22.76 0.14 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.591 -1.535 . . . . 0.0 109.35 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.17 116.7 2.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.089 -1.007 . . . . 0.0 109.361 179.293 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.433 ' CD1' ' NE2' ' C' ' 64' ' ' GLN . 34.5 m-85 -116.68 12.0 14.81 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.317 -0.864 . . . . 0.0 110.969 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.609 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 62.1 mtp180 -138.36 24.91 2.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 177.392 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.468 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 37.9 mt-30 -141.37 152.31 44.25 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -103.58 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.124 -0.985 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.2 42.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.446 -0.784 . . . . 0.0 109.705 179.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.98 135.16 47.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -90.05 113.52 25.24 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.683 -1.261 . . . . 0.0 109.949 -178.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 10.3 t -113.65 122.73 48.05 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.678 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 82.3 t -130.38 84.12 60.52 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.467 -0.771 . . . . 0.0 109.64 -179.144 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -85.64 62.92 5.57 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.794 2.329 . . . . 0.0 111.787 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -70.05 132.29 88.46 Favored Pre-proline 0 N--CA 1.49 1.526 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -39.34 147.0 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.328 1.352 . . . . 0.0 111.249 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.584 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 58.5 t-20 -132.55 2.61 3.81 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.937 0.875 . . . . 0.0 108.948 -179.193 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.42 8.34 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.299 -0.876 . . . . 0.0 108.831 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.73 107.92 14.85 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.22 134.38 35.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.359 0.6 . . . . 0.0 109.386 -178.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -90.98 114.12 60.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 0.0 109.185 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -93.13 -46.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.885 1.723 . . . . 0.0 113.884 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . 0.437 ' O ' ' OD1' ' B' ' 83' ' ' ASN . 82.8 tttt -121.19 -45.81 2.33 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.156 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.86 -45.61 93.87 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.427 -1.421 . . . . 0.0 113.759 -175.734 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 58.9 t30 -77.33 -49.25 15.36 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 119.808 -1.808 . . . . 0.0 111.263 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 80' ' ' LYS . 18.8 p-10 -59.9 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.86 -1.15 . . . . 0.0 110.346 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.57 -45.09 95.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.729 -1.232 . . . . 0.0 109.818 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 64.7 p -68.77 -39.96 79.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.33 -39.92 93.04 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.722 -1.236 . . . . 0.0 108.553 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.42 -40.24 95.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.423 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 63.9 t90 -60.35 -48.56 81.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.508 -0.745 . . . . 0.0 109.308 179.2 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.37 -40.3 96.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.081 -1.012 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.93 -42.68 99.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 0.0 110.183 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.17 -42.43 94.96 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 109.269 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.31 -42.14 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.434 -0.791 . . . . 0.0 109.5 179.401 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.58 -40.15 93.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.322 -0.861 . . . . 0.0 111.174 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -68.8 -40.03 79.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.723 -1.236 . . . . 0.0 109.474 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.18 -40.46 86.58 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.007 -1.058 . . . . 0.0 108.727 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.06 -48.61 81.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.481 -0.762 . . . . 0.0 109.731 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 101' ' ' THR . 87.2 tt0 -59.95 -44.55 94.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.184 -0.947 . . . . 0.0 109.658 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.38 -44.94 95.16 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.172 -0.955 . . . . 0.0 109.636 -179.73 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.13 -42.79 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.661 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 101' ' ' THR . . . . . 0.436 ' HG1' ' N ' ' B' ' 102' ' ' ALA . 43.9 p -60.33 -44.36 95.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.053 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.436 ' N ' ' HG1' ' B' ' 101' ' ' THR . . . -60.86 -48.71 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.393 -0.817 . . . . 0.0 109.399 179.329 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.42 -44.58 95.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.749 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.54 -42.65 96.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.048 -1.033 . . . . 0.0 109.594 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.42 -48.79 80.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 -179.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.98 -41.01 97.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.5 -0.75 . . . . 0.0 109.904 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.878 . . . . 0.0 109.656 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.13 -43.91 97.79 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.005 -1.06 . . . . 0.0 109.39 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.02 -50.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.354 -0.841 . . . . 0.0 109.672 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.03 -39.99 78.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 110.045 -179.591 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -60.0 -45.47 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 109.714 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.54 -40.21 77.0 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.316 -0.865 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.0 -40.1 90.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 109.937 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.49 -43.97 97.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.064 . . . . 0.0 109.882 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.01 -41.14 87.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.168 -0.957 . . . . 0.0 108.967 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . 0.604 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.4 t80 -60.25 -48.64 80.88 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.528 -0.732 . . . . 0.0 109.272 179.333 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.59 -40.06 93.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.4 -0.813 . . . . 0.0 109.473 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 0.0 109.779 -179.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -62.01 -40.92 97.31 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.964 -1.085 . . . . 0.0 109.957 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.604 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 41.0 mmtm -63.16 -39.97 96.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 109.075 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.97 -47.44 85.79 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -121.68 60.37 0.96 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.487 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.101 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.485 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 88.7 mt-30 -69.01 142.65 54.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.1 -1.0 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -90.98 58.8 3.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.2 -0.938 . . . . 0.0 109.517 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.485 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 55.2 mtt-85 -65.59 -39.7 91.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.891 179.134 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.928 . . . . 0.0 109.278 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.63 -41.65 97.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 108.815 179.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.08 -39.59 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 109.809 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.7 88.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.158 -0.964 . . . . 0.0 108.855 -179.425 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.68 -47.07 80.14 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.03 -49.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.408 -1.054 . . . . 0.0 109.463 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.99 -1.069 . . . . 0.0 109.288 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.16 -39.8 87.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.157 -0.965 . . . . 0.0 109.297 178.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.94 -41.19 91.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.401 -179.026 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -61.44 -42.17 98.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.11 -0.994 . . . . 0.0 109.38 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.24 -44.02 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.228 -0.92 . . . . 0.0 109.095 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.94 -41.97 98.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.926 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -41.75 98.8 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.035 -1.041 . . . . 0.0 109.287 179.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.13 -41.45 96.75 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.28 -0.887 . . . . 0.0 108.883 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.07 -49.24 78.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 109.692 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.14 -40.15 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.159 -0.963 . . . . 0.0 109.685 -179.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -42.03 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.075 -1.015 . . . . 0.0 108.363 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.15 -40.24 95.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.484 -0.76 . . . . 0.0 109.221 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.596 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.92 -41.04 95.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.523 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.23 -40.1 89.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.187 -0.946 . . . . 0.0 109.64 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.05 -49.64 76.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 109.419 -179.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.75 -41.01 98.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.46 -40.27 96.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.939 179.312 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' C' ' 31' ' ' THR . 22.7 mt -60.79 -40.21 91.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.336 -0.852 . . . . 0.0 109.506 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.55 -40.02 90.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.418 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.0 mt -61.55 -39.98 93.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 0.0 109.615 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 79.9 p -63.46 -40.01 95.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.996 . . . . 0.0 109.681 -179.742 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.31 -41.01 85.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -60.34 -40.92 92.38 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.413 -0.804 . . . . 0.0 109.97 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -49.79 74.7 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.09 -48.71 80.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.947 -1.325 . . . . 0.0 109.919 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.21 -40.1 88.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.863 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.64 HD22 ' NH2' ' C' ' 41' ' ' ARG . 56.0 t-20 -59.88 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.308 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.3 -40.01 89.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.067 -1.021 . . . . 0.0 109.5 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.77 -40.34 87.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.041 -1.037 . . . . 0.0 109.13 -179.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' C' ' 43' ' ' THR . 71.6 p -60.08 -40.37 89.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.735 -1.228 . . . . 0.0 108.458 179.299 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.64 ' NH2' HD22 ' C' ' 37' ' ' ASN . 26.5 mtt-85 -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.696 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.55 -41.24 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.647 -0.658 . . . . 0.0 109.41 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' C' ' 40' ' ' THR . 60.5 p -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.946 -1.096 . . . . 0.0 109.56 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.902 -1.124 . . . . 0.0 109.203 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.412 HD11 HG22 ' C' ' 45' ' ' ILE . 83.0 mt -60.88 -40.23 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 111.085 -178.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.04 -38.26 87.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.358 -1.464 . . . . 0.0 108.889 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -59.97 -49.06 79.17 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.578 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 37.5 m-85 -61.18 -39.98 92.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 109.653 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.97 -39.93 87.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.143 -0.973 . . . . 0.0 109.58 -179.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.794 -1.191 . . . . 0.0 108.039 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -39.69 85.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.0 109.369 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.578 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 2.8 mp0 -59.74 -39.69 85.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.685 -1.259 . . . . 0.0 108.946 179.591 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.87 76.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -59.92 -39.74 86.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.937 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 74.5 mt -70.32 115.98 10.13 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.02 -1.05 . . . . 0.0 108.908 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.686 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 72.0 m-80 -133.74 -66.01 0.65 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.456 -0.778 . . . . 0.0 110.25 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.08 118.51 5.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.178 -0.951 . . . . 0.0 109.851 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -99.49 123.05 43.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.774 -179.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 62.49 30.65 77.08 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.485 178.148 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 22.51 0.14 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.53 -1.571 . . . . 0.0 109.127 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.93 117.26 2.26 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.197 -0.94 . . . . 0.0 109.441 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.461 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -117.48 11.69 13.93 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 121.27 -0.894 . . . . 0.0 111.055 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.584 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 62.4 mtp180 -138.15 25.09 2.74 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.393 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.433 ' NE2' ' CD1' ' B' ' 62' ' ' PHE . 38.6 mt-30 -141.57 152.32 43.96 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.209 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -104.05 56.62 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.147 -0.971 . . . . 0.0 108.671 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.23 42.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.676 . . . . 0.0 109.603 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -130.06 134.86 47.67 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -89.93 113.38 25.01 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.775 -1.203 . . . . 0.0 110.056 -178.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -113.14 122.95 49.07 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.686 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 67.8 t -130.22 84.03 61.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.457 -0.777 . . . . 0.0 109.651 -179.202 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -85.95 62.96 5.29 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.745 2.296 . . . . 0.0 111.743 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' C' ' 73' ' ' PRO . 21.2 t90 -69.95 132.33 88.63 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.854 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' C' ' 72' ' ' TRP . 93.5 Cg_exo -39.63 147.1 0.19 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.355 1.37 . . . . 0.0 111.285 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' B' ' 52' ' ' GLN . 58.6 t-20 -132.3 2.13 3.86 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.971 0.891 . . . . 0.0 109.039 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.72 123.53 8.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.344 -0.847 . . . . 0.0 108.915 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -81.77 107.62 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.99 134.56 35.71 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.165 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -90.71 114.03 59.92 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.388 -0.82 . . . . 0.0 109.225 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -93.33 -46.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.036 0 C-N-CA 121.816 1.677 . . . . 0.0 113.663 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' C' ' 83' ' ' ASN . 82.7 tttt -121.55 -45.33 2.31 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.035 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -61.47 -45.34 94.67 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.432 -1.417 . . . . 0.0 113.774 -175.585 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.629 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.6 t30 -77.54 -48.85 15.97 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 119.854 -1.778 . . . . 0.0 111.366 -178.579 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' C' ' 80' ' ' LYS . 18.0 p-10 -60.08 -50.03 75.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.071 . . . . 0.0 110.122 -178.576 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.26 -46.05 91.15 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.772 -1.205 . . . . 0.0 109.838 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 64.5 p -67.9 -39.98 83.54 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 109.753 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -65.56 -39.81 92.1 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.492 -179.578 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.05 -40.11 88.28 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.662 -1.274 . . . . 0.0 108.445 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.93 -40.37 97.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.405 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.4 t90 -59.96 -47.72 84.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.495 -0.753 . . . . 0.0 109.465 178.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.134 -0.978 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -62.13 -42.64 99.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.553 -0.717 . . . . 0.0 110.158 -179.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.12 -43.01 95.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 0.0 109.272 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.77 -42.42 92.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.382 -0.823 . . . . 0.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.06 -40.39 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.0 111.153 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.808 -1.182 . . . . 0.0 109.592 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.34 -40.2 85.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.147 -0.971 . . . . 0.0 108.85 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.21 -48.67 80.75 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.431 -0.793 . . . . 0.0 109.616 179.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' C' ' 101' ' ' THR . 87.4 tt0 -60.09 -44.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 109.629 -179.461 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.7 t-20 -60.05 -44.79 94.44 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.182 -0.949 . . . . 0.0 109.817 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.45 -42.84 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 109.521 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 101' ' ' THR . . . . . 0.438 ' HG1' ' N ' ' C' ' 102' ' ' ALA . 44.5 p -60.18 -43.93 95.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.154 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . 0.438 ' N ' ' HG1' ' C' ' 101' ' ' THR . . . -61.55 -48.76 79.55 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.369 -0.832 . . . . 0.0 109.42 179.43 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.2 -44.65 94.95 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.369 -0.832 . . . . 0.0 109.827 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.48 -42.85 97.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.965 . . . . 0.0 109.565 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.07 -49.0 79.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.97 -40.83 96.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.857 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.54 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 0.0 109.597 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.985 -1.072 . . . . 0.0 109.393 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.36 -50.05 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.21 -0.931 . . . . 0.0 109.688 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.87 -40.1 79.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.912 -1.118 . . . . 0.0 110.124 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.08 -45.52 92.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 109.659 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.62 -40.03 76.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.02 -40.1 90.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.133 -0.979 . . . . 0.0 109.897 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.39 -43.69 98.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.992 -1.067 . . . . 0.0 109.992 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.49 -41.08 85.13 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.951 . . . . 0.0 108.9 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . 0.609 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.521 -0.737 . . . . 0.0 109.246 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.66 -39.88 92.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.466 -0.771 . . . . 0.0 109.607 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.14 -42.59 95.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.426 -0.796 . . . . 0.0 109.534 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -61.68 -42.62 99.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.043 -1.035 . . . . 0.0 109.793 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . 0.609 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 41.2 mmtm -61.33 -40.02 92.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 99.8 mt -59.92 -47.41 85.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -121.62 60.02 0.96 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.029 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.135 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -72.78 145.28 47.16 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.192 -0.943 . . . . 0.0 109.097 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.37 61.61 6.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -61.97 -39.97 93.99 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 15.2 t -60.35 -42.5 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.282 -0.887 . . . . 0.0 108.88 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' A' ' 5' ' ' THR . 58.9 tp -60.05 -43.51 95.32 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.42 -39.9 95.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.614 -0.679 . . . . 0.0 109.203 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.04 91.5 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.862 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.88 -44.71 67.25 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 10' ' ' ILE . 96.8 mt -60.06 -49.95 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.091 . . . . 0.0 109.34 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -59.98 -47.51 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.11 -0.994 . . . . 0.0 109.198 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 109.14 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.01 -43.57 95.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.451 -0.781 . . . . 0.0 109.224 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.4 -41.4 93.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.24 -42.75 95.95 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.257 -0.902 . . . . 0.0 108.967 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.1 -40.87 95.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.536 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.17 -44.08 97.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.983 . . . . 0.0 109.035 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.69 -42.58 97.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.329 -0.857 . . . . 0.0 109.118 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.1 t0 -60.05 -47.22 86.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.381 -0.824 . . . . 0.0 109.96 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.0 -40.01 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.033 . . . . 0.0 109.445 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.96 -40.75 83.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.9 -40.56 95.87 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.68 -0.637 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.9 mpt_? -59.98 -42.83 95.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.143 -0.973 . . . . 0.0 108.885 179.653 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.192 -0.943 . . . . 0.0 109.109 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -59.96 -45.57 92.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.372 -0.83 . . . . 0.0 109.666 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.64 -41.41 83.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.552 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.126 -0.983 . . . . 0.0 109.339 179.48 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.94 -40.52 89.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.726 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.0 -39.94 91.63 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.078 -1.014 . . . . 0.0 109.361 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.5 -40.12 95.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -61.98 -39.95 93.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.013 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.99 -40.0 84.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.299 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -60.07 -47.94 83.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.35 -0.843 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.9 88.74 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.346 -179.081 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -59.96 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.964 -1.315 . . . . 0.0 109.353 -179.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -61.35 -39.94 92.44 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.316 -0.865 . . . . 0.0 109.035 179.043 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.533 HD22 HD22 ' B' ' 82' ' ' ASN . 43.8 t-20 -60.02 -40.01 87.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.452 -0.78 . . . . 0.0 109.505 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.95 -40.03 87.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 108.486 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 109.135 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 71.5 p -60.02 -41.54 92.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.803 -1.186 . . . . 0.0 108.731 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.618 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 49.9 mtt-85 -61.91 -40.1 94.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.026 -1.047 . . . . 0.0 108.378 178.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.06 -42.6 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.618 -0.676 . . . . 0.0 110.035 -179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -59.96 -40.08 87.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.886 -1.134 . . . . 0.0 110.115 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.48 98.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.873 -1.142 . . . . 0.0 108.082 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.52 -39.77 82.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.845 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.05 -40.25 88.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.087 -1.008 . . . . 0.0 109.043 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.75 -42.33 99.62 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 109.708 179.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.0 m-85 -69.43 -38.07 77.71 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.21 -0.931 . . . . 0.0 109.616 179.747 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD21 HE22 ' C' ' 52' ' ' GLN . 49.5 mt -59.97 -39.96 87.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.922 -1.111 . . . . 0.0 109.239 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.76 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.926 -1.109 . . . . 0.0 108.708 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.99 -39.96 87.52 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.063 -1.023 . . . . 0.0 109.054 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.434 HE22 HD21 ' B' ' 49' ' ' LEU . 37.3 mt-30 -60.7 -39.95 90.42 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.012 -1.055 . . . . 0.0 109.331 179.143 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.23 -32.6 64.6 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.953 -1.092 . . . . 0.0 108.262 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.27 -38.41 80.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.54 111.12 4.54 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 31.8 m120 -134.9 -69.28 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.314 -0.866 . . . . 0.0 109.62 -179.748 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.39 88.31 1.5 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 109.185 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.509 ' C ' ' H ' ' A' ' 60' ' ' ALA . 64.2 m95 -104.42 148.96 25.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.481 -0.762 . . . . 0.0 110.02 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 51.93 9.24 0.51 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.138 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -80.84 25.36 0.45 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.25 -1.147 . . . . 0.0 109.131 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.95 111.19 2.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.903 -1.123 . . . . 0.0 110.546 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -105.4 12.52 31.47 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 178.492 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 26.2 mmm180 -115.87 21.55 13.74 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 177.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.541 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -151.35 152.11 32.7 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.326 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -110.14 59.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.117 -0.99 . . . . 0.0 109.003 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.86 158.18 41.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.42 -0.8 . . . . 0.0 109.638 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -123.02 132.46 54.14 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.47 121.13 41.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.29 -0.881 . . . . 0.0 111.536 -177.671 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 69' ' ' THR . 10.5 t -109.8 119.33 39.04 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 85.3 t -123.24 90.33 50.49 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.445 -0.785 . . . . 0.0 109.577 -179.276 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.4 67.68 7.35 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 C-N-CA 122.584 2.189 . . . . 0.0 111.996 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' PRO . 21.8 t90 -69.0 131.15 90.99 Favored Pre-proline 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.79 . . . . 0.0 109.013 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' TRP . 61.4 Cg_exo -38.5 149.22 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.424 1.416 . . . . 0.0 111.425 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.4 OUTLIER -127.53 -60.09 1.19 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.318 -0.864 . . . . 0.0 109.254 -179.178 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 125.82 35.32 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -82.1 108.91 15.94 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.8 mt -82.15 137.1 35.04 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.321 0.581 . . . . 0.0 109.866 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 78' ' ' THR . 15.3 t -90.85 112.84 55.62 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.429 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -94.7 -47.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.997 0 C-N-CA 121.624 1.549 . . . . 0.0 114.609 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -119.93 -46.29 2.44 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.215 -0.928 . . . . 0.0 113.025 -176.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.7 p90 -59.98 -56.36 22.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.335 -1.478 . . . . 0.0 112.536 -176.286 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 20.2 t-20 -76.17 -38.02 57.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.142 -1.598 . . . . 0.0 109.966 -179.156 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.9 -44.24 94.36 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 -179.187 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.03 -45.87 91.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.983 . . . . 0.0 108.433 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -67.39 -40.08 85.65 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.462 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -62.32 -40.06 95.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.008 . . . . 0.0 109.579 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.29 91.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.639 -1.288 . . . . 0.0 108.312 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.07 -39.99 91.99 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.414 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 54.8 t90 -60.0 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.452 -0.78 . . . . 0.0 109.144 179.469 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.59 -40.79 97.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.128 -0.982 . . . . 0.0 109.375 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -63.19 -41.91 99.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 110.503 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.06 -43.67 98.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.75 -1.219 . . . . 0.0 109.601 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.14 -40.95 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.044 -1.035 . . . . 0.0 109.545 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.74 -40.07 91.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.135 -0.978 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.71 -40.01 80.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.622 -1.299 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.939 . . . . 0.0 109.64 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.27 -40.33 95.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.047 -1.033 . . . . 0.0 110.274 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.15 -39.98 78.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.03 -1.043 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.84 -40.99 96.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.377 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.918 . . . . 0.0 110.04 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.48 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.111 -0.993 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.34 -40.42 93.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.232 -0.917 . . . . 0.0 109.565 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.56 -40.65 97.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 0.0 109.163 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.98 -48.56 81.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.92 . . . . 0.0 109.242 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.42 -41.43 97.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 109.208 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.09 83.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.0 109.541 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.06 -45.06 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.689 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.35 -45.14 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.984 . . . . 0.0 109.219 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.67 -39.96 76.69 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.404 -0.81 . . . . 0.0 109.991 -179.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.06 -50.0 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.062 -1.024 . . . . 0.0 109.778 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.54 -42.53 96.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.22 -42.12 98.05 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.254 -0.904 . . . . 0.0 109.746 -179.486 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.48 -44.76 93.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.396 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.5 ttp -67.51 -40.0 85.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.449 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.95 -43.8 94.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.513 -0.742 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.61 -39.92 88.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.056 -1.027 . . . . 0.0 109.042 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.1 -42.82 95.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.519 -0.738 . . . . 0.0 109.486 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.5 mt-30 -60.88 -42.02 97.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 110.176 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.69 -37.28 81.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.2 -0.938 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.86 -47.54 85.33 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -130.33 62.51 1.58 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.42 -0.8 . . . . 0.0 109.508 179.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.083 -1.011 . . . . 0.0 109.162 179.574 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.425 ' H1 ' ' H ' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.323 0.582 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.425 ' H ' ' H1 ' ' B' ' 1' ' ' ALA . 42.0 mt-30 -72.99 145.12 46.92 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.618 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.25 61.72 6.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.03 -40.03 94.32 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.4 t -60.35 -42.45 95.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.295 -0.878 . . . . 0.0 108.81 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' B' ' 5' ' ' THR . 58.8 tp -60.01 -43.81 94.99 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.471 -0.768 . . . . 0.0 109.311 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.34 91.98 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -44.82 70.06 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 10' ' ' ILE . 96.9 mt -59.94 -50.01 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.401 -1.058 . . . . 0.0 109.324 179.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -47.14 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.007 -1.058 . . . . 0.0 109.217 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.83 -40.01 96.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.959 . . . . 0.0 109.171 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -43.45 95.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.409 -0.807 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.43 -41.46 94.05 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.952 -1.092 . . . . 0.0 109.414 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.198 -0.938 . . . . 0.0 109.109 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.45 -40.42 93.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.4 -44.18 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 109.148 179.137 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.61 -42.64 97.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.473 -0.767 . . . . 0.0 109.131 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.494 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 53.4 t0 -60.02 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.426 -0.797 . . . . 0.0 109.863 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.97 -39.99 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.083 -1.01 . . . . 0.0 109.433 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 108.733 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.8 -40.2 94.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.6 -0.688 . . . . 0.0 109.548 179.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.494 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.9 mpt_? -60.42 -42.65 96.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.06 -1.025 . . . . 0.0 108.984 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.21 -40.01 88.6 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.014 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -60.02 -45.67 92.01 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.54 -41.12 84.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.95 -40.89 99.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.298 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.02 -40.56 89.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.439 -0.788 . . . . 0.0 109.565 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.95 -40.08 91.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.029 -1.044 . . . . 0.0 109.265 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.33 -40.09 95.2 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.206 -0.934 . . . . 0.0 109.698 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -61.89 -40.0 93.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.92 -40.13 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.426 -0.796 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -60.0 -47.9 83.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.459 -179.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.82 89.12 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.403 -179.2 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.976 -1.308 . . . . 0.0 109.381 -179.225 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.4 -40.04 92.93 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.271 -0.893 . . . . 0.0 108.992 179.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.564 HD22 HD22 ' C' ' 82' ' ' ASN . 43.8 t-20 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.442 -0.786 . . . . 0.0 109.503 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.03 -39.91 87.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.913 -1.117 . . . . 0.0 108.445 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.218 -0.926 . . . . 0.0 109.112 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 70.6 p -60.1 -41.01 91.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.824 -1.173 . . . . 0.0 108.709 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.602 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 48.7 mtt-85 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.689 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.83 -42.79 93.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.654 -0.654 . . . . 0.0 109.936 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.888 -1.132 . . . . 0.0 110.197 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.137 . . . . 0.0 108.117 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.28 -39.81 81.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 CA-C-O 121.183 0.516 . . . . 0.0 109.816 179.158 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.02 -40.88 90.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.088 -1.008 . . . . 0.0 108.87 -178.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.09 -42.6 99.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.393 -0.817 . . . . 0.0 109.621 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.7 m-85 -69.22 -38.08 78.35 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.0 109.761 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.434 HD21 HE22 ' A' ' 52' ' ' GLN . 50.7 mt -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.914 -1.116 . . . . 0.0 109.106 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.51 -39.97 95.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.805 -1.185 . . . . 0.0 108.658 178.591 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.09 -40.11 88.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.057 -1.027 . . . . 0.0 108.996 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.413 HE22 HD21 ' C' ' 49' ' ' LEU . 37.7 mt-30 -60.38 -39.94 89.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 109.467 179.109 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.52 64.5 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.831 -1.168 . . . . 0.0 108.293 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.36 -38.3 80.08 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 mt -68.74 110.65 4.41 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 31.9 m120 -134.47 -68.95 0.53 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 0.0 109.915 -179.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.5 88.09 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.187 -0.945 . . . . 0.0 109.027 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.512 ' C ' ' H ' ' B' ' 60' ' ' ALA . 64.2 m95 -104.39 149.03 25.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.442 -0.786 . . . . 0.0 110.058 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.9 8.83 0.45 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -80.26 25.46 0.39 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.121 -1.223 . . . . 0.0 109.209 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.03 111.29 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.906 -1.121 . . . . 0.0 110.563 -179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -105.47 12.7 31.14 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.393 -0.817 . . . . 0.0 109.903 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.507 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 26.0 mmm180 -115.94 21.39 13.83 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 177.455 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.529 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -151.18 151.93 32.6 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.214 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -109.93 59.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.055 -1.028 . . . . 0.0 109.095 179.482 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.93 158.55 42.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.484 -0.76 . . . . 0.0 109.593 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -123.48 132.56 53.96 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.002 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.65 121.37 41.52 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.222 -0.924 . . . . 0.0 111.515 -177.608 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.428 ' O ' ' CG2' ' B' ' 69' ' ' THR . 10.6 t -109.9 119.31 38.93 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.681 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.423 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 84.3 t -123.32 90.21 50.59 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.304 -0.872 . . . . 0.0 109.568 -179.26 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.22 67.47 7.55 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.625 2.216 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 21.8 t90 -68.83 131.27 91.17 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.486 -0.759 . . . . 0.0 108.993 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 61.5 Cg_exo -38.59 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.244 0 C-N-CA 121.515 1.477 . . . . 0.0 111.297 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -127.45 -59.98 1.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.296 -0.877 . . . . 0.0 109.272 -179.252 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.53 125.54 35.24 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.93 108.95 15.85 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.046 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.07 136.98 35.14 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.996 -178.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' B' ' 78' ' ' THR . 15.2 t -90.58 112.71 54.62 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.315 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -94.57 -46.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 121.671 1.58 . . . . 0.0 114.728 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -120.17 -46.34 2.42 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.184 -0.947 . . . . 0.0 113.032 -176.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.8 p90 -60.01 -56.49 21.04 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.408 -1.432 . . . . 0.0 112.526 -176.298 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 20.1 t-20 -75.91 -38.25 57.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.104 -1.622 . . . . 0.0 110.0 -179.227 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -60.02 -43.95 94.94 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.193 -0.942 . . . . 0.0 109.063 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -45.97 90.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 108.45 178.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 75.1 p -67.26 -40.03 86.18 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.378 -0.826 . . . . 0.0 109.059 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.416 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.8 t-105 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.96 -40.98 90.92 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.563 -1.336 . . . . 0.0 108.445 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.34 -40.01 92.68 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.416 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.9 t90 -59.99 -48.39 81.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.62 -40.37 96.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.173 -0.955 . . . . 0.0 109.595 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -63.64 -41.9 98.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 110.312 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.69 -43.77 97.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.879 -1.138 . . . . 0.0 109.857 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -40.71 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.8 -40.0 91.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.077 -1.014 . . . . 0.0 111.148 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -68.98 -40.04 79.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.617 -1.302 . . . . 0.0 109.655 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.72 -40.18 94.89 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.162 -0.961 . . . . 0.0 109.646 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.97 -40.99 97.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.167 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -68.68 -39.95 80.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.997 -1.064 . . . . 0.0 109.493 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.98 -40.6 95.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.275 -0.891 . . . . 0.0 109.332 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.76 -46.53 96.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.203 -0.936 . . . . 0.0 109.245 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.9 p -59.99 -42.13 93.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.126 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.39 -40.32 93.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.207 -0.933 . . . . 0.0 109.666 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -40.85 97.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.086 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.0 -48.4 81.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.106 -0.996 . . . . 0.0 109.243 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.1 -41.86 97.45 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.013 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.17 83.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.338 -0.851 . . . . 0.0 109.623 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.1 -44.99 94.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.963 . . . . 0.0 109.619 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.07 -45.4 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.008 -1.058 . . . . 0.0 109.297 179.65 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -69.6 -40.0 76.91 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.358 -0.839 . . . . 0.0 110.105 -179.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -50.05 75.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.056 -1.028 . . . . 0.0 109.728 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -42.5 95.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 109.474 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -61.54 -41.68 97.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.281 -0.887 . . . . 0.0 109.662 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.84 -44.84 91.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.096 -1.002 . . . . 0.0 109.246 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.39 -40.0 85.63 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 108.816 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.99 -43.85 94.91 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 109.565 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.4 -40.04 89.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.987 -1.071 . . . . 0.0 109.1 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.12 -42.73 95.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.482 -0.762 . . . . 0.0 109.592 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.5 mt-30 -60.95 -42.09 97.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.163 -0.96 . . . . 0.0 110.055 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.4 -37.63 81.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.234 -0.916 . . . . 0.0 109.422 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.68 -47.26 86.32 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -130.61 62.31 1.6 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.569 -0.707 . . . . 0.0 109.455 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.491 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.022 -1.049 . . . . 0.0 109.127 179.606 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.442 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.442 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 42.0 mt-30 -72.7 145.05 47.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.121 179.63 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.28 61.97 6.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.073 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.25 -40.04 94.86 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.479 -0.763 . . . . 0.0 108.952 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.17 -42.64 95.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 108.857 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.1 tp -59.95 -43.58 94.94 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.31 -39.97 96.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.499 -0.75 . . . . 0.0 109.183 178.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.24 91.96 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.226 -0.921 . . . . 0.0 108.794 -179.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.8 -44.47 69.35 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -49.97 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 0.0 109.473 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.13 -47.19 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.253 -0.905 . . . . 0.0 109.212 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.82 -40.07 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 109.065 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.9 -43.71 94.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.361 -0.837 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.26 -41.49 93.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.972 -1.08 . . . . 0.0 109.492 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.11 -42.6 95.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.071 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.35 -40.78 94.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.444 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.13 -44.33 97.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.02 -1.05 . . . . 0.0 109.131 179.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.25 -42.71 95.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.361 -0.837 . . . . 0.0 109.174 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . 0.482 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.0 t0 -59.96 -47.24 86.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 110.003 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.93 -40.05 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.85 -40.26 94.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.606 -0.684 . . . . 0.0 109.586 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.482 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.9 mpt_? -60.38 -42.77 96.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 108.909 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 0.0 108.991 179.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -60.05 -45.67 92.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.59 -41.15 84.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.0 -40.72 98.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.34 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.04 -40.75 90.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 109.585 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.72 -39.95 90.52 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.966 -1.084 . . . . 0.0 109.408 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.43 -40.25 95.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.62 -179.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -61.73 -40.0 93.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.058 -1.026 . . . . 0.0 109.484 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.01 -40.06 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.421 -0.799 . . . . 0.0 109.311 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -59.97 -48.07 83.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.886 . . . . 0.0 110.448 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -47.76 89.42 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.409 -179.186 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.925 -1.338 . . . . 0.0 109.343 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.3 -39.99 92.49 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.286 -0.884 . . . . 0.0 109.1 179.101 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.552 HD22 HD22 ' A' ' 82' ' ' ASN . 44.1 t-20 -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.99 -40.07 87.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.838 -1.164 . . . . 0.0 108.388 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -40.05 87.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.257 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 71.8 p -60.12 -41.14 91.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.69 -1.256 . . . . 0.0 108.822 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.621 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 49.6 mtt-85 -62.4 -39.94 94.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 0.0 108.314 178.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.08 -42.74 94.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.65 -0.656 . . . . 0.0 109.909 -179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.88 -1.138 . . . . 0.0 110.058 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.47 98.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.163 . . . . 0.0 108.086 179.062 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.43 -39.69 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.881 -0.512 . . . . 0.0 109.869 179.23 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.97 -40.36 88.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.158 -0.964 . . . . 0.0 109.122 -178.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.63 -42.49 99.62 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 109.684 179.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.7 m-85 -69.18 -38.21 78.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.31 -0.869 . . . . 0.0 109.691 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . 0.413 HD21 HE22 ' B' ' 52' ' ' GLN . 50.0 mt -60.0 -40.05 87.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.978 -1.076 . . . . 0.0 109.176 179.728 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -63.44 -40.0 95.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.121 . . . . 0.0 108.759 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 0.0 109.097 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.409 HE22 HD21 ' A' ' 49' ' ' LEU . 37.7 mt-30 -60.56 -39.92 89.73 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.897 -1.127 . . . . 0.0 109.3 179.117 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.32 -32.45 64.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.968 -1.082 . . . . 0.0 108.233 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.51 -38.17 80.25 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.73 110.73 4.45 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 31.8 m120 -134.63 -69.08 0.52 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.405 -0.81 . . . . 0.0 109.734 -179.833 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.43 88.04 1.48 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.334 -0.854 . . . . 0.0 109.168 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.497 ' C ' ' H ' ' C' ' 60' ' ' ALA . 64.8 m95 -104.31 148.95 25.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.531 -0.731 . . . . 0.0 110.09 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.97 9.29 0.53 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -80.93 25.33 0.46 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.322 -1.105 . . . . 0.0 109.114 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.94 111.29 2.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.005 -1.059 . . . . 0.0 110.568 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -105.55 12.78 30.91 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.485 -0.76 . . . . 0.0 109.846 178.584 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.507 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 25.7 mmm180 -116.09 21.53 13.64 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.428 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.533 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -151.33 152.01 32.56 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.243 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -109.94 59.51 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.032 -1.043 . . . . 0.0 109.033 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.81 158.38 42.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 109.719 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -123.27 132.33 53.98 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.42 121.12 41.01 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.207 -0.933 . . . . 0.0 111.415 -177.616 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 69' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' C' ' 69' ' ' THR . 10.3 t -109.75 119.37 39.16 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 87.3 t -123.28 90.49 50.42 Favored Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.319 -0.863 . . . . 0.0 109.494 -179.249 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.49 67.57 7.31 Favored 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 122.555 2.17 . . . . 0.0 111.936 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' C' ' 73' ' ' PRO . 21.5 t90 -68.8 131.21 91.24 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.966 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' C' ' 72' ' ' TRP . 58.7 Cg_exo -38.4 149.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.531 1.488 . . . . 0.0 111.388 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.4 OUTLIER -127.52 -60.04 1.19 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.273 -0.892 . . . . 0.0 109.283 -179.299 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.58 125.67 35.31 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.88 108.97 15.82 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.1 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.5 mt -82.21 136.85 35.03 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.374 0.607 . . . . 0.0 109.947 -178.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' C' ' 78' ' ' THR . 15.2 t -90.58 112.75 54.83 Favored Pre-proline 0 N--CA 1.494 1.768 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -94.68 -47.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 121.65 1.567 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -119.97 -46.43 2.43 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.253 -0.904 . . . . 0.0 112.99 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -60.04 -56.22 24.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.339 -1.476 . . . . 0.0 112.502 -176.264 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.682 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 20.9 t-20 -76.33 -37.83 56.8 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.077 -1.64 . . . . 0.0 109.856 -179.021 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -59.98 -44.23 94.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.222 -0.924 . . . . 0.0 109.085 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -46.0 90.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.102 -0.999 . . . . 0.0 108.503 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.7 p -67.25 -40.02 86.2 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.0 108.981 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 38.1 t-105 -62.65 -39.92 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.091 -1.005 . . . . 0.0 109.561 -179.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.12 -40.64 90.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.587 -1.32 . . . . 0.0 108.447 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.68 -39.85 92.9 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.414 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 54.5 t90 -60.1 -48.62 80.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -41.05 98.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.037 -1.039 . . . . 0.0 109.567 179.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -63.1 -41.83 99.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 110.539 -179.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.92 -43.49 98.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.866 -1.146 . . . . 0.0 109.743 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.61 -40.54 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.01 -40.02 91.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.147 -0.97 . . . . 0.0 111.162 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.96 -39.97 79.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.638 -1.289 . . . . 0.0 109.59 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.13 -0.981 . . . . 0.0 109.657 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.98 -40.43 96.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 110.201 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.985 -1.072 . . . . 0.0 109.479 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.83 -40.83 95.83 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.206 -0.934 . . . . 0.0 109.328 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.56 -46.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.25 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.1 p -60.03 -42.34 94.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.218 -0.926 . . . . 0.0 109.972 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.45 96.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.058 -1.026 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.27 -40.43 93.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.222 -0.924 . . . . 0.0 109.63 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.56 -40.79 97.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.068 -1.02 . . . . 0.0 109.222 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.02 -48.14 82.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.156 -0.965 . . . . 0.0 109.302 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.6 -41.55 97.61 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.178 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.2 83.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.557 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -59.94 -45.23 93.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.16 -45.44 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 109.207 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -69.44 -39.98 77.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.17 -49.96 75.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.994 -1.066 . . . . 0.0 109.783 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.17 -42.93 96.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.05 -41.85 97.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.286 -0.884 . . . . 0.0 109.799 -179.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -63.67 -44.85 92.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.98 -1.075 . . . . 0.0 109.259 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 51.7 ttp -67.58 -40.01 84.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.348 -0.845 . . . . 0.0 108.729 179.453 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.96 -43.73 94.88 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.435 -0.791 . . . . 0.0 109.588 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.59 -40.01 88.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 0.0 108.922 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.29 -42.3 95.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.478 -0.764 . . . . 0.0 109.704 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.5 mt-30 -61.05 -42.66 98.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.098 -1.002 . . . . 0.0 110.106 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.96 -37.86 80.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 179.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.34 -47.44 85.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -130.55 62.5 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.61 -0.681 . . . . 0.0 109.431 179.314 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.135 179.654 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 97.0 mt-30 -70.33 144.02 51.81 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.271 -0.893 . . . . 0.0 109.076 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -89.33 58.53 4.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -0.963 . . . . 0.0 109.566 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -62.64 -39.98 95.56 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 108.753 179.421 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.414 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 13.5 t -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.425 -0.797 . . . . 0.0 109.74 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' A' ' 5' ' ' THR . 58.6 tp -59.98 -45.83 91.44 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.394 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.55 -40.02 93.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.17 88.15 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.84 63.89 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.95 -47.66 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -1.081 . . . . 0.0 109.317 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.0 108.916 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.72 -39.96 90.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 109.892 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.05 -40.96 91.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.084 -1.01 . . . . 0.0 109.103 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.62 -40.06 90.5 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.141 -0.974 . . . . 0.0 109.04 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.94 -44.24 94.5 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.094 -1.003 . . . . 0.0 108.986 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.34 -42.87 96.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.164 -0.96 . . . . 0.0 109.265 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.28 -42.08 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.196 -0.94 . . . . 0.0 109.095 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.09 -43.78 95.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.402 -0.811 . . . . 0.0 109.273 179.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.11 -47.97 83.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.302 -0.873 . . . . 0.0 110.016 -179.322 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.99 -40.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.314 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -44.92 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.935 . . . . 0.0 109.064 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -41.55 92.41 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.502 -0.749 . . . . 0.0 109.036 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 52.3 mtt-85 -60.88 -40.01 91.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.729 -179.598 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.14 -40.03 88.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.176 -0.952 . . . . 0.0 109.142 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.964 . . . . 0.0 108.899 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.44 -42.33 95.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 0.0 109.161 179.623 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.8 tp -61.19 -41.85 97.54 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.358 -0.839 . . . . 0.0 109.023 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.06 -40.4 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.422 -0.799 . . . . 0.0 109.587 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.97 -40.1 87.92 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.069 -1.019 . . . . 0.0 109.143 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.5 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.983 -1.073 . . . . 0.0 109.602 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.2 p -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.098 -1.001 . . . . 0.0 109.418 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.35 -40.23 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.02 -41.2 91.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -48.38 86.35 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.118 -1.225 . . . . 0.0 109.878 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.945 . . . . 0.0 109.917 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.423 ' O ' ' OG1' ' A' ' 40' ' ' THR . 48.1 t-20 -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.163 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.87 -40.09 91.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.955 -1.091 . . . . 0.0 109.447 179.56 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -59.97 -40.83 90.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 72.7 p -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 39.2 mtt-85 -67.84 -39.18 83.89 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.108 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -41.99 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.088 -1.008 . . . . 0.0 108.496 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 40' ' ' THR . 82.0 p -60.14 -40.26 89.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.007 -1.058 . . . . 0.0 108.845 179.252 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.98 97.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.282 -1.511 . . . . 0.0 108.804 178.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.61 -40.0 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.535 -0.728 . . . . 0.0 110.247 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.843 -1.161 . . . . 0.0 109.541 -179.118 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.28 -39.99 96.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.711 -1.243 . . . . 0.0 109.677 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.7 m-85 -69.21 -40.04 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.549 -1.344 . . . . 0.0 108.789 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.54 -40.01 89.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.938 -1.101 . . . . 0.0 108.74 178.524 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.55 86.2 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.706 HE22 HD22 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.3 -40.01 84.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.099 -1.0 . . . . 0.0 108.643 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.93 77.57 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.835 -1.166 . . . . 0.0 108.208 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -39.93 87.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.09 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.95 114.85 8.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.006 -1.058 . . . . 0.0 108.408 179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -133.43 -58.89 0.88 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.372 -0.83 . . . . 0.0 110.819 -179.101 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.1 117.25 4.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.11 -0.994 . . . . 0.0 110.421 -178.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -102.28 125.2 48.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.327 -0.858 . . . . 0.0 110.327 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.43 24.73 71.0 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.816 -1.183 . . . . 0.0 110.591 178.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.03 23.28 0.14 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.651 -1.499 . . . . 0.0 108.852 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.7 115.28 2.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -117.04 11.74 14.34 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.261 -0.899 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -138.51 25.07 2.65 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.437 ' NE2' ' CD1' ' C' ' 62' ' ' PHE . 33.3 mt-30 -142.79 152.88 42.72 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.74 57.69 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.972 -1.08 . . . . 0.0 108.662 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 157.53 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.415 -0.803 . . . . 0.0 109.984 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -130.19 134.08 47.03 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -88.98 113.58 24.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.297 . . . . 0.0 109.488 -178.658 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -113.26 122.79 48.51 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -129.15 81.84 69.69 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 109.738 -178.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.63 61.43 5.36 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.912 2.408 . . . . 0.0 111.651 179.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.8 t90 -70.28 130.14 89.74 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 109.549 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.0 Cg_exo -40.61 148.85 0.18 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.268 1.312 . . . . 0.0 110.808 179.149 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.691 HD22 HE22 ' C' ' 52' ' ' GLN . 6.7 t-20 -127.83 -48.27 1.37 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.304 -0.872 . . . . 0.0 109.767 -179.101 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.29 126.66 35.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 108.645 179.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.28 110.32 15.61 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.82 135.17 36.41 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.675 0.75 . . . . 0.0 109.795 -178.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 t -92.23 113.86 60.47 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.414 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -90.26 -48.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.153 0 C-N-CA 121.655 1.57 . . . . 0.0 113.946 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.89 2.3 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -177.063 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -60.03 -47.83 84.22 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.288 -1.508 . . . . 0.0 112.611 -175.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.4 t30 -70.39 -44.87 67.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 119.89 -1.756 . . . . 0.0 110.04 -179.803 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.47 ' ND2' ' NE2' ' A' ' 87' ' ' GLN . 2.0 t-20 -60.13 -49.94 75.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 110.765 -178.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -64.89 -41.95 95.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.741 -1.225 . . . . 0.0 109.927 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -70.04 -40.02 75.4 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.114 -0.992 . . . . 0.0 109.692 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.437 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 39.9 t-105 -68.34 -39.98 81.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.398 -179.463 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.47 ' NE2' ' ND2' ' A' ' 83' ' ' ASN . 44.9 mt-30 -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.746 -1.221 . . . . 0.0 108.457 179.307 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -42.95 95.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.437 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 56.3 t90 -59.97 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.44 -0.787 . . . . 0.0 109.157 179.082 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.14 -41.62 98.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.352 -0.842 . . . . 0.0 109.277 179.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.26 -42.94 96.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 110.505 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.48 94.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.674 -1.266 . . . . 0.0 109.14 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.99 -40.97 89.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.284 -0.885 . . . . 0.0 108.831 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.01 -48.18 82.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.44 -0.788 . . . . 0.0 110.021 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -60.46 -47.58 85.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.938 -1.101 . . . . 0.0 109.632 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.59 -42.07 98.33 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.26 -0.9 . . . . 0.0 109.319 -179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.99 -46.11 92.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.53 -41.9 96.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.987 -179.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.464 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 47.0 t-20 -66.17 -40.03 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.662 -179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.18 -40.13 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 0.0 109.587 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -60.95 -40.62 94.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.01 75.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.346 -0.846 . . . . 0.0 109.783 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.09 -42.35 99.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -49.98 75.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 108.862 179.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -48.53 81.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.365 -0.834 . . . . 0.0 109.116 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.99 -40.98 95.54 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.304 -0.872 . . . . 0.0 109.353 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.43 97.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 109.719 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.07 -47.32 86.36 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.152 -0.968 . . . . 0.0 109.135 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.53 -50.01 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.008 . . . . 0.0 109.134 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.15 -40.14 96.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.497 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.95 -49.0 79.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.741 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -40.04 94.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 109.677 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -62.38 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.08 -1.012 . . . . 0.0 109.75 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.43 -43.48 98.79 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.091 -1.005 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.85 -41.17 97.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.834 . . . . 0.0 109.704 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.061 -1.024 . . . . 0.0 109.139 179.28 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -39.72 86.63 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.448 -0.782 . . . . 0.0 108.983 179.275 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.3 -42.86 92.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.484 -0.76 . . . . 0.0 109.249 -179.192 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.15 -40.06 94.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.113 -0.992 . . . . 0.0 109.712 179.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -60.01 -34.32 73.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.33 -0.856 . . . . 0.0 109.603 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.7 mt -56.82 -47.74 79.61 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.998 -1.064 . . . . 0.0 108.451 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -145.27 66.38 1.24 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.042 -1.036 . . . . 0.0 109.866 179.168 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 117.898 -1.048 . . . . 0.0 108.739 179.11 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.427 ' H1 ' ' H ' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.427 ' H ' ' H1 ' ' B' ' 1' ' ' ALA . 96.8 mt-30 -70.29 144.13 51.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.111 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -89.55 58.89 4.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.385 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -63.11 -40.03 96.43 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.3 t -59.99 -40.9 90.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.431 -0.793 . . . . 0.0 109.754 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.3 tp -59.93 -46.22 90.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.401 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.15 -39.95 92.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.663 -0.648 . . . . 0.0 109.328 178.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.02 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -47.12 65.28 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 178.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.93 -47.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.288 -1.125 . . . . 0.0 109.234 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.8 t -59.94 -47.3 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.049 -1.032 . . . . 0.0 109.254 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.79 -40.03 91.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.89 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.0 -41.0 91.16 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.0 109.242 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.41 -40.11 89.82 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.005 -1.059 . . . . 0.0 109.079 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.02 -43.85 94.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.331 -0.856 . . . . 0.0 109.019 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -42.55 98.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.167 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.6 -42.08 99.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.96 . . . . 0.0 109.098 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.0 tp -60.05 -43.71 95.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.0 109.133 179.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.94 -47.94 83.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.04 -40.03 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -44.94 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.152 -0.967 . . . . 0.0 109.081 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -41.49 92.56 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.486 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 50.4 mtt-85 -61.1 -40.07 92.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.632 -0.668 . . . . 0.0 109.548 -179.559 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.145 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.02 -49.77 76.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -42.29 97.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.011 -1.056 . . . . 0.0 108.953 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.19 -41.62 97.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.437 -0.79 . . . . 0.0 109.052 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.34 -40.02 89.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 109.554 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.11 89.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.149 -0.969 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.426 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.6 mt -61.55 -41.87 98.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.882 . . . . 0.0 109.562 179.517 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -63.03 -40.05 96.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.229 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -40.0 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.301 -0.875 . . . . 0.0 108.835 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.441 -0.787 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.77 -48.31 86.7 Favored Glycine 0 N--CA 1.487 2.077 0 C-N-CA 119.422 -1.37 . . . . 0.0 109.714 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.05 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.057 -1.261 . . . . 0.0 109.944 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.15 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.429 ' O ' ' OG1' ' B' ' 40' ' ' THR . 47.9 t-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.985 . . . . 0.0 109.154 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.05 -40.01 92.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.026 -1.046 . . . . 0.0 109.554 179.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.02 -40.84 90.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.025 . . . . 0.0 109.858 -179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.3 p -60.11 -40.0 88.14 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.509 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 39.5 mtt-85 -67.76 -39.1 84.18 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -42.04 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.065 -1.022 . . . . 0.0 108.44 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 82.5 p -60.02 -40.24 88.6 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.942 -1.099 . . . . 0.0 108.907 179.132 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.52 98.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.38 -1.45 . . . . 0.0 108.689 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.411 HG22 HD11 ' B' ' 45' ' ' ILE . 83.9 mt -62.01 -39.96 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.51 -0.744 . . . . 0.0 110.338 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.91 -1.119 . . . . 0.0 109.489 -179.13 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.31 -39.99 96.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.774 -1.204 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.07 -39.97 78.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.685 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.0 -40.56 89.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.673 -1.267 . . . . 0.0 108.755 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.33 -40.09 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.042 -1.036 . . . . 0.0 108.679 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.96 -39.63 86.27 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.705 HE22 HD22 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.32 -39.73 84.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.096 -1.002 . . . . 0.0 108.637 -179.841 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.95 78.7 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.816 -1.178 . . . . 0.0 108.217 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.96 -39.97 87.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.971 . . . . 0.0 108.975 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -69.86 114.61 8.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.039 -1.038 . . . . 0.0 108.366 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 29.0 m120 -133.23 -58.94 0.89 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.417 -0.802 . . . . 0.0 110.782 -179.169 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.97 117.05 4.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.082 -1.011 . . . . 0.0 110.531 -178.607 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -102.05 124.97 48.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.275 -0.891 . . . . 0.0 110.473 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.64 24.55 71.2 Favored Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.516 178.542 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.71 22.36 0.14 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.799 -1.412 . . . . 0.0 109.015 -179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.58 115.84 2.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.305 -0.872 . . . . 0.0 108.981 179.198 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -117.5 12.08 14.03 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.257 -0.902 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -139.02 25.44 2.51 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -143.11 153.22 42.68 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.14 57.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.101 -0.999 . . . . 0.0 108.554 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.23 157.5 41.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 109.972 179.541 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -130.01 134.3 47.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -89.28 113.7 24.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.561 -1.337 . . . . 0.0 109.54 -178.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -113.32 122.51 47.61 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.416 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 99.3 t -128.62 81.88 69.78 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -178.843 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.42 61.26 5.52 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.74 2.293 . . . . 0.0 111.801 179.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 12.7 t90 -70.09 130.15 90.02 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.434 -0.791 . . . . 0.0 109.548 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 91.3 Cg_exo -40.71 148.73 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.358 1.372 . . . . 0.0 110.774 179.152 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.706 HD22 HE22 ' A' ' 52' ' ' GLN . 6.6 t-20 -127.63 -48.21 1.4 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.334 -0.854 . . . . 0.0 109.709 -179.065 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.86 36.04 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.199 -0.938 . . . . 0.0 108.59 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.51 110.35 15.89 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -80.11 134.89 36.22 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.695 0.759 . . . . 0.0 109.783 -178.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -91.9 113.8 60.03 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.773 . . . . 0.0 108.977 179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -90.21 -48.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.599 1.533 . . . . 0.0 113.863 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.39 -43.65 2.29 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -47.89 83.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.251 -1.531 . . . . 0.0 112.569 -175.686 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.4 t30 -70.31 -44.79 67.55 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.02 -1.675 . . . . 0.0 110.163 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.465 ' ND2' ' NE2' ' B' ' 87' ' ' GLN . 2.0 t-20 -60.25 -49.93 75.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.154 -0.966 . . . . 0.0 110.82 -178.893 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.86 -41.92 95.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.875 -1.141 . . . . 0.0 110.043 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -70.1 -40.01 75.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.163 -0.96 . . . . 0.0 109.656 179.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.447 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 40.2 t-105 -68.37 -39.99 81.58 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.01 -1.056 . . . . 0.0 109.341 -179.406 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . 0.465 ' NE2' ' ND2' ' B' ' 83' ' ' ASN . 45.1 mt-30 -60.02 -41.09 91.45 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.81 -1.181 . . . . 0.0 108.425 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.38 -42.66 96.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.447 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 55.8 t90 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.122 179.025 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 -41.67 98.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.342 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -60.23 -42.81 95.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.274 -0.891 . . . . 0.0 110.518 -179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.77 95.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.061 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.328 -0.857 . . . . 0.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.1 -48.46 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -60.58 -47.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.104 -0.997 . . . . 0.0 109.776 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.88 -42.27 98.86 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.139 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.352 -0.843 . . . . 0.0 109.545 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.68 -41.41 96.08 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 110.067 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 47.2 t-20 -66.23 -40.0 89.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 0.0 109.708 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.32 -40.0 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.06 -1.025 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -61.01 -41.14 95.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.98 75.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.393 -0.817 . . . . 0.0 109.852 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.1 -42.5 99.28 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.016 -1.052 . . . . 0.0 108.914 -179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.962 . . . . 0.0 108.886 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -48.77 80.34 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.3 -0.875 . . . . 0.0 109.061 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.7 -40.84 93.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 0.0 109.479 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.3 98.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.95 -47.88 83.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -50.06 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 109.345 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.29 -40.01 96.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -59.94 -49.04 79.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 109.605 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.51 -40.05 94.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.96 -40.04 94.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 109.868 179.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.44 -43.83 98.19 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.219 -0.926 . . . . 0.0 109.155 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -41.52 98.52 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.96 -44.76 94.22 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.085 -1.009 . . . . 0.0 109.134 179.429 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.06 -39.34 85.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.434 -0.791 . . . . 0.0 109.184 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.96 -42.5 94.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.46 -0.775 . . . . 0.0 109.237 -179.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.7 mt-30 -62.35 -40.01 95.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.098 -1.001 . . . . 0.0 109.584 179.541 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -60.05 -34.24 73.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.644 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 91.1 mt -56.77 -48.34 78.08 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -144.52 65.91 1.27 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.999 -1.063 . . . . 0.0 110.056 179.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 p . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.935 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.437 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.437 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 96.9 mt-30 -70.14 144.36 52.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.387 -0.821 . . . . 0.0 109.079 179.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -89.8 58.71 4.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 109.394 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -62.92 -39.97 96.18 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 13.4 t -60.06 -41.08 91.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.453 -0.779 . . . . 0.0 109.699 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' C' ' 5' ' ' THR . 58.2 tp -60.03 -45.77 91.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.921 -1.112 . . . . 0.0 108.093 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.36 -40.04 92.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.598 -0.688 . . . . 0.0 109.286 178.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.16 88.14 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.81 -47.29 61.8 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 178.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -47.4 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.305 -1.115 . . . . 0.0 109.209 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.06 -47.54 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.46 -40.02 89.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 0.0 109.888 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -40.81 90.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.97 -1.081 . . . . 0.0 109.247 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.53 -40.21 90.68 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.024 -1.047 . . . . 0.0 109.177 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -44.12 94.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.33 -0.856 . . . . 0.0 108.954 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.61 -42.74 97.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.205 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.46 -42.05 99.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.0 109.118 179.293 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.172 179.298 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.02 -47.94 83.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.316 -0.865 . . . . 0.0 110.185 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.06 -40.07 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.002 -1.061 . . . . 0.0 109.457 -179.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.93 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.159 -0.963 . . . . 0.0 108.999 179.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.07 -41.58 92.68 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.389 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.464 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 51.7 mtt-85 -60.9 -39.94 91.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.59 -0.693 . . . . 0.0 109.671 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.17 -39.97 88.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.874 . . . . 0.0 109.349 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.93 -49.87 75.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.975 . . . . 0.0 108.924 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.71 -42.34 97.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 108.936 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.22 -41.67 97.26 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.345 -0.847 . . . . 0.0 109.085 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' C' ' 31' ' ' THR . 22.7 mt -60.31 -40.27 89.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.576 179.631 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.05 -40.12 88.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.091 -1.006 . . . . 0.0 109.091 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.41 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -61.62 -41.87 98.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.562 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 77.3 p -63.0 -40.03 96.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.0 109.453 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.51 -40.05 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -59.87 -41.17 90.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.704 . . . . 0.0 110.276 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.4 86.27 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.01 -49.92 75.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.23 -1.159 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 110.227 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.422 ' O ' ' OG1' ' C' ' 40' ' ' THR . 47.7 t-20 -59.96 -40.07 87.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.124 -0.985 . . . . 0.0 109.106 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.92 -40.1 91.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.075 -1.016 . . . . 0.0 109.63 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.95 -40.84 90.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.115 -0.991 . . . . 0.0 109.9 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' C' ' 43' ' ' THR . 68.5 p -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 39.8 mtt-85 -67.85 -38.99 83.85 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -42.11 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.065 -1.022 . . . . 0.0 108.615 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.7 p -60.07 -39.96 87.83 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.18 -0.95 . . . . 0.0 108.83 179.226 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.04 97.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.358 -1.464 . . . . 0.0 108.648 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.407 HG22 HD11 ' C' ' 45' ' ' ILE . 84.1 mt -61.45 -40.0 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.52 -0.737 . . . . 0.0 110.274 -179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.99 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.847 -1.158 . . . . 0.0 109.501 -179.169 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.25 -40.11 96.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.737 -1.227 . . . . 0.0 109.667 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 58.7 m-85 -69.09 -39.98 78.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.58 -1.325 . . . . 0.0 108.786 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.96 -39.99 91.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.942 -1.099 . . . . 0.0 108.686 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.38 85.58 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.691 HE22 HD22 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.5 -40.0 85.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.84 77.12 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.744 -1.222 . . . . 0.0 108.265 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 73.5 mt -69.89 114.88 8.49 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 28.8 m120 -133.5 -59.13 0.87 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.835 -179.097 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.03 116.99 4.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.114 -0.991 . . . . 0.0 110.375 -178.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -102.32 124.98 48.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.299 -0.875 . . . . 0.0 110.313 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.54 24.86 71.23 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.51 178.602 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.89 23.06 0.14 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.731 -1.453 . . . . 0.0 108.933 -179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.528 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.43 115.55 2.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.057 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.437 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 33.5 m-85 -117.36 11.84 14.09 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.35 -0.844 . . . . 0.0 110.805 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -138.81 25.32 2.57 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 177.346 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -142.83 153.35 43.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.17 57.57 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.09 -1.006 . . . . 0.0 108.519 179.063 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.26 157.4 41.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.342 -0.849 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -130.01 134.17 47.24 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -88.88 113.96 24.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.683 -1.261 . . . . 0.0 109.334 -178.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -113.55 122.72 48.1 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.41 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 96.9 t -129.03 81.73 70.2 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.349 -0.844 . . . . 0.0 109.69 -178.764 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -85.6 61.65 5.41 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.781 2.321 . . . . 0.0 111.709 179.585 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -70.46 130.31 89.27 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.567 -0.708 . . . . 0.0 109.549 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -40.79 148.67 0.19 Allowed 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.325 1.35 . . . . 0.0 110.753 179.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.705 HD22 HE22 ' B' ' 52' ' ' GLN . 6.7 t-20 -127.48 -48.34 1.42 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.386 -0.821 . . . . 0.0 109.788 -179.11 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.58 35.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.891 . . . . 0.0 108.839 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -80.29 110.01 15.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 mt -79.66 134.92 36.44 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.671 0.748 . . . . 0.0 109.76 -178.323 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -92.11 113.92 60.56 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.21 -48.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.53 1.487 . . . . 0.0 114.002 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.67 2.31 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -177.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.91 -48.2 82.67 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.353 -1.467 . . . . 0.0 112.592 -175.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.5 t30 -70.06 -44.98 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.98 -1.7 . . . . 0.0 110.18 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . 0.467 ' ND2' ' NE2' ' C' ' 87' ' ' GLN . 2.0 t-20 -60.03 -50.01 75.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.205 -0.935 . . . . 0.0 110.571 -178.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.88 -41.76 95.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.805 -1.184 . . . . 0.0 110.129 -179.178 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 42.4 p -70.17 -40.05 74.92 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.189 -0.945 . . . . 0.0 109.537 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.442 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.0 t-105 -68.33 -40.04 81.76 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.42 -179.298 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . 0.467 ' NE2' ' ND2' ' C' ' 83' ' ' ASN . 45.1 mt-30 -60.0 -41.24 91.66 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.702 -1.248 . . . . 0.0 108.38 179.258 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.442 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 56.0 t90 -59.94 -50.05 75.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.465 -0.772 . . . . 0.0 109.089 179.064 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.43 -41.34 98.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.344 -0.848 . . . . 0.0 109.271 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.69 -42.84 97.94 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 110.444 -179.706 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -59.97 -42.5 94.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.043 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.8 -41.28 90.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.276 -0.89 . . . . 0.0 108.835 179.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.95 -48.2 82.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.344 -0.848 . . . . 0.0 109.871 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.59 -47.34 86.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.962 -1.086 . . . . 0.0 109.715 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.44 -42.53 98.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.187 -0.945 . . . . 0.0 109.243 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 -46.25 90.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 0.0 109.615 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -41.73 95.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.942 -179.167 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.486 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 47.0 t-20 -66.13 -39.92 90.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 0.0 109.641 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.3 -40.13 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.014 -1.054 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -60.99 -41.24 96.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.457 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.02 75.33 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.285 -0.885 . . . . 0.0 109.941 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.02 -42.35 99.07 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.026 -1.046 . . . . 0.0 108.92 -179.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.0 -49.92 75.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.023 179.278 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -48.69 80.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.001 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.69 -41.13 94.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.292 -0.88 . . . . 0.0 109.386 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.659 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.03 -47.82 84.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.156 -0.965 . . . . 0.0 109.187 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.13 -49.98 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.0 109.367 179.192 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -60.02 -48.99 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.412 -0.805 . . . . 0.0 109.599 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.64 -40.0 94.69 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.99 -40.29 95.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.988 -1.07 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.22 -43.63 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.196 -0.94 . . . . 0.0 109.347 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.6 -41.54 98.32 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.24 -0.912 . . . . 0.0 109.552 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.91 -44.92 94.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.133 -0.98 . . . . 0.0 109.228 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -39.18 84.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.144 179.1 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.95 -42.42 94.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.579 -0.7 . . . . 0.0 109.236 -179.087 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.1 -1.0 . . . . 0.0 109.487 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -59.99 -33.86 72.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.249 -0.907 . . . . 0.0 109.763 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.08 -48.17 79.23 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.878 -1.139 . . . . 0.0 108.359 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -144.73 66.35 1.26 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.025 -1.047 . . . . 0.0 109.998 179.147 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.976 -1.012 . . . . 0.0 108.852 179.207 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -62.36 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.404 -0.81 . . . . 0.0 109.836 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.06 -45.49 92.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.011 -1.056 . . . . 0.0 108.768 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' N ' HG23 ' A' ' 5' ' ' THR . 59.6 tp -61.84 -44.43 96.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.064 -1.023 . . . . 0.0 108.783 178.802 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.32 -39.97 96.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.566 -0.708 . . . . 0.0 109.603 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.48 89.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.071 -1.018 . . . . 0.0 108.349 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.514 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -67.4 -48.31 58.47 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 178.432 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -49.0 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.337 -1.096 . . . . 0.0 109.106 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.68 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.45 -40.37 96.38 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 109.9 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.04 -41.23 91.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 109.375 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.23 -41.52 93.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.075 -1.015 . . . . 0.0 109.236 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.46 -44.06 96.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.164 -0.96 . . . . 0.0 109.249 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.61 -40.74 95.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.14 -0.975 . . . . 0.0 109.048 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.99 -40.54 95.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -0.865 . . . . 0.0 109.008 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.97 -44.37 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.0 -48.7 80.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.983 -179.45 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.07 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.95 -1.094 . . . . 0.0 108.919 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.09 -49.49 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -0.938 . . . . 0.0 108.517 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.02 -40.5 93.79 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -60.47 -39.94 89.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.663 -0.648 . . . . 0.0 109.759 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.08 -40.0 88.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 109.165 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -59.96 -44.8 94.19 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.085 -1.01 . . . . 0.0 108.993 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.87 -44.75 96.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.978 -1.076 . . . . 0.0 109.037 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.47 -41.61 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 109.501 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.99 -40.22 88.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 109.831 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.7 91.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 109.426 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.6 mt -61.79 -41.36 97.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.073 -1.017 . . . . 0.0 109.521 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -63.51 -40.1 96.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.06 -40.13 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.333 -0.854 . . . . 0.0 108.919 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -59.98 -43.37 95.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.41 -0.806 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.24 86.93 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.127 -1.219 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -60.6 -39.97 90.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.089 -1.007 . . . . 0.0 110.66 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.0 -40.73 90.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.95 -1.094 . . . . 0.0 109.547 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.42 -39.95 89.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.073 -1.017 . . . . 0.0 109.164 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.06 -41.6 92.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.308 -0.87 . . . . 0.0 109.768 -179.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -60.08 -40.92 91.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.89 -1.131 . . . . 0.0 108.643 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.474 HH21 ' ND2' ' B' ' 82' ' ' ASN . 87.0 mtt180 -66.19 -40.0 90.09 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.112 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -40.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.385 -0.822 . . . . 0.0 109.378 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.0 p -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.044 -1.035 . . . . 0.0 109.006 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.04 82.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.814 -1.179 . . . . 0.0 109.72 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.53 -41.6 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.071 -1.018 . . . . 0.0 111.053 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.25 -40.01 94.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.569 -1.332 . . . . 0.0 108.532 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.98 -45.49 92.55 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.195 179.106 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 35.6 m-85 -62.48 -39.93 95.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 178.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.66 -39.18 83.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.949 -1.094 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -39.89 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.871 -1.143 . . . . 0.0 108.83 178.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.03 -39.12 84.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.273 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 48' ' ' TYR . 3.0 mp0 -59.92 -39.81 86.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.0 109.082 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.89 80.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.849 -1.157 . . . . 0.0 108.266 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.229 -0.92 . . . . 0.0 109.079 179.677 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.537 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 54.1 t-20 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.18 127.75 40.2 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -79.95 110.25 15.15 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.852 -1.155 . . . . 0.0 107.922 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.8 135.76 37.17 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.722 0.772 . . . . 0.0 109.743 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 78' ' ' THR . 9.3 t -91.43 116.08 65.72 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.689 -0.632 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.87 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.533 1.489 . . . . 0.0 114.274 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.33 -42.17 2.37 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.2 p90 -59.8 -49.17 78.75 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.332 -1.48 . . . . 0.0 113.098 -175.313 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 11.4 m120 -72.99 -45.72 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 119.853 -1.78 . . . . 0.0 110.628 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.897 -1.127 . . . . 0.0 110.993 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.28 -42.25 88.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.699 -1.25 . . . . 0.0 109.63 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 81' ' ' TRP . 77.5 p -70.04 -40.0 75.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.218 -0.926 . . . . 0.0 110.117 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.408 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 27.9 t-105 -68.85 -40.19 79.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.472 -179.073 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.16 -42.46 94.97 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.425 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.08 -41.34 98.07 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 108.914 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.472 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 55.9 t90 -60.03 -49.99 75.5 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.379 -0.825 . . . . 0.0 109.513 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.07 -40.03 96.46 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.333 -0.854 . . . . 0.0 109.454 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.48 -41.92 99.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.291 -0.88 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.02 -43.37 95.3 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.703 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.19 -41.79 90.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -43.53 95.14 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.983 . . . . 0.0 110.426 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.14 -40.06 78.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.759 -1.213 . . . . 0.0 108.915 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.53 -43.74 93.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.399 -0.813 . . . . 0.0 109.704 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.55 -43.76 96.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.748 -1.22 . . . . 0.0 109.573 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.32 -40.18 93.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.832 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.95 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.432 -0.793 . . . . 0.0 109.873 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.19 -40.24 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.063 -1.023 . . . . 0.0 109.739 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -62.06 -40.66 96.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.071 -1.018 . . . . 0.0 109.287 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.38 82.01 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.236 -0.915 . . . . 0.0 109.753 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.54 -39.93 94.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.16 -0.962 . . . . 0.0 109.7 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.61 -41.92 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.037 -1.04 . . . . 0.0 109.059 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.14 -45.59 94.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.602 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.33 -39.99 89.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -0.856 . . . . 0.0 108.999 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.97 97.85 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.399 -0.813 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -49.75 76.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.044 -1.035 . . . . 0.0 109.207 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.07 -50.03 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.872 . . . . 0.0 109.039 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.5 tt0 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.454 -0.779 . . . . 0.0 109.923 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.02 -46.58 89.01 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.821 -179.182 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -39.98 92.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.03 -1.044 . . . . 0.0 109.493 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -65.91 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.111 -0.993 . . . . 0.0 110.222 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -62.42 -41.53 98.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.811 -1.181 . . . . 0.0 109.842 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.328 179.694 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -62.37 -40.05 95.17 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.557 -0.714 . . . . 0.0 109.892 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.564 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.3 t -60.02 -45.59 92.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.023 -1.048 . . . . 0.0 108.79 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.564 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -61.78 -43.93 97.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 108.915 178.758 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.85 -39.96 95.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.519 -0.738 . . . . 0.0 109.526 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.118 -0.989 . . . . 0.0 108.453 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.91 -48.23 55.8 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 178.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -49.17 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.321 -1.105 . . . . 0.0 109.133 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.07 -45.71 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.004 -1.06 . . . . 0.0 108.678 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.53 -40.34 96.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.276 -0.89 . . . . 0.0 109.934 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.99 -41.49 92.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.308 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.251 -0.906 . . . . 0.0 109.288 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.19 -41.04 96.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.104 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -40.65 95.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.99 -44.31 94.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.08 -48.68 80.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.439 -0.788 . . . . 0.0 109.923 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.99 -40.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 0.0 108.972 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.48 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 108.534 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.09 -40.4 93.58 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.41 -40.07 89.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.642 -0.661 . . . . 0.0 109.722 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.107 -0.996 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -59.96 -44.87 94.16 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.196 -0.94 . . . . 0.0 108.883 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.85 -44.76 96.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.965 -1.084 . . . . 0.0 109.137 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.47 -41.69 94.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.477 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.99 -40.27 88.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.786 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.09 -40.84 91.01 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.16 -0.962 . . . . 0.0 109.42 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -61.59 -41.68 97.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.047 -1.033 . . . . 0.0 109.558 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -63.39 -40.0 96.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.429 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.0 t -61.08 -40.04 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 108.947 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -59.99 -43.26 95.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.64 -47.93 88.53 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.11 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.112 . . . . 0.0 110.217 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.52 -40.05 90.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.981 -1.074 . . . . 0.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.97 -40.65 89.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.862 -1.149 . . . . 0.0 109.534 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.53 -39.93 89.64 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -41.46 92.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 0.0 109.699 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' B' ' 43' ' ' THR . 70.3 p -60.11 -41.15 91.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.009 -1.057 . . . . 0.0 108.586 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.457 HH21 ' ND2' ' C' ' 82' ' ' ASN . 87.1 mtt180 -66.06 -40.04 90.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.351 -0.843 . . . . 0.0 109.399 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 40' ' ' THR . 68.1 p -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.957 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.12 83.06 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.81 -1.181 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.54 -41.61 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.996 -1.065 . . . . 0.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.23 -39.92 94.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.53 -1.357 . . . . 0.0 108.529 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -45.53 92.58 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.196 179.212 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 35.7 m-85 -62.35 -39.94 94.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.66 -39.35 84.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.873 -1.142 . . . . 0.0 108.868 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.921 -1.112 . . . . 0.0 108.743 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.01 -39.07 84.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.098 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.81 79.87 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.836 -1.165 . . . . 0.0 108.254 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 0.0 109.093 179.689 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.492 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 54.5 t-20 . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.98 127.77 39.94 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 10.3 p -80.16 110.37 15.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.3 mt -78.98 135.94 37.07 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.707 0.765 . . . . 0.0 109.78 -178.22 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.614 HG23 ' O ' ' B' ' 78' ' ' THR . 8.9 t -91.43 115.99 65.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -89.82 -47.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.405 1.403 . . . . 0.0 114.211 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.47 -42.23 2.35 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -176.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -59.78 -49.1 79.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.305 -1.497 . . . . 0.0 113.016 -175.251 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 11.7 m120 -73.07 -45.68 55.95 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.778 -1.827 . . . . 0.0 110.6 -179.342 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.881 -1.137 . . . . 0.0 110.98 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.745 -1.222 . . . . 0.0 109.7 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 81' ' ' TRP . 75.1 p -70.16 -40.02 74.97 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.213 -0.929 . . . . 0.0 110.096 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.419 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 28.1 t-105 -69.0 -39.96 79.03 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 118.652 -1.219 . . . . 0.0 109.478 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.52 -42.38 96.33 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.706 -1.197 . . . . 0.0 108.405 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.01 -41.5 98.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 108.794 178.553 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.471 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 55.7 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.525 -0.735 . . . . 0.0 109.411 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.96 -39.99 96.35 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.259 -0.901 . . . . 0.0 109.547 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -62.64 -41.73 99.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 110.354 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.94 -43.66 94.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.784 -1.198 . . . . 0.0 108.657 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.86 -42.04 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.358 -0.839 . . . . 0.0 109.032 178.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 62.2 t0 -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.975 . . . . 0.0 110.55 -179.104 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 -39.97 78.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.678 -1.264 . . . . 0.0 109.01 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.51 -43.67 93.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.424 -0.798 . . . . 0.0 109.59 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -44.26 96.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.885 -1.134 . . . . 0.0 109.497 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.88 -40.19 92.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.295 -0.878 . . . . 0.0 109.368 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.365 -0.834 . . . . 0.0 109.945 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.14 -40.31 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.101 -1.0 . . . . 0.0 109.689 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.5 -40.22 96.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.943 -1.098 . . . . 0.0 109.272 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.51 81.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.3 -0.875 . . . . 0.0 109.74 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.38 -40.02 95.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.613 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.62 -42.09 91.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 109.12 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.67 -46.19 91.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.333 -0.855 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.97 -39.85 90.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.309 -0.87 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.85 98.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.338 -0.851 . . . . 0.0 109.394 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.075 -1.016 . . . . 0.0 109.351 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.406 ' CG2' ' HZ3' ' B' ' 113' ' ' LYS . 85.6 mt -60.09 -50.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.876 . . . . 0.0 109.1 179.517 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.6 tt0 -61.01 -39.96 91.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.509 -0.745 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.08 -46.33 89.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.859 . . . . 0.0 109.783 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.73 -40.0 91.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.009 -1.057 . . . . 0.0 109.586 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.406 ' HZ3' ' CG2' ' B' ' 109' ' ' ILE . 34.3 mttp -65.79 -40.01 91.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.047 -1.033 . . . . 0.0 110.166 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -62.56 -42.0 99.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.806 -1.184 . . . . 0.0 109.703 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.487 1.401 0 O-C-N 121.172 -0.955 . . . . 0.0 109.479 179.735 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -62.31 -40.02 94.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.524 -0.735 . . . . 0.0 109.851 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.57 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.1 t -59.94 -45.75 91.61 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 108.742 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.57 ' N ' HG23 ' C' ' 5' ' ' THR . 59.8 tp -61.62 -44.31 97.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.141 -0.974 . . . . 0.0 108.882 178.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.49 -39.92 95.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 0.0 109.622 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.96 87.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.007 -1.058 . . . . 0.0 108.41 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 9' ' ' GLY . . . . . 0.487 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -68.05 -48.25 54.82 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.14 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.507 -0.996 . . . . 0.0 109.167 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.03 -45.78 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 108.686 179.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.43 -40.43 96.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.02 -41.35 91.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.118 -0.989 . . . . 0.0 109.283 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.99 -41.91 93.08 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.068 -1.02 . . . . 0.0 109.157 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.38 -44.07 96.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.217 -0.927 . . . . 0.0 109.214 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.42 -40.82 95.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.147 -0.971 . . . . 0.0 109.007 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.0 -40.47 94.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.817 . . . . 0.0 109.003 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.03 -48.65 80.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 0.0 109.981 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.99 -40.96 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 108.943 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.92 -49.44 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.0 108.59 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -61.12 -40.53 94.12 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.678 -0.639 . . . . 0.0 109.795 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.172 -0.955 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -60.04 -45.03 94.18 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.115 -0.99 . . . . 0.0 108.881 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.48 -45.15 94.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.999 -1.063 . . . . 0.0 109.044 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.15 -41.87 93.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.433 -0.792 . . . . 0.0 109.535 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.799 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.087 -1.008 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.472 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -61.36 -41.79 97.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 109.536 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.9 p -63.19 -40.18 96.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.441 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.07 -39.96 84.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.266 -0.896 . . . . 0.0 109.006 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.98 -43.33 95.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 0.0 110.261 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -48.08 87.77 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -50.04 75.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -1.202 . . . . 0.0 110.245 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.48 -40.01 89.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.047 -1.033 . . . . 0.0 110.656 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.919 -1.113 . . . . 0.0 109.624 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.6 -39.93 89.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.042 -1.036 . . . . 0.0 109.155 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.09 -41.22 92.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 0.0 109.803 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.22 -41.21 92.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.876 -1.14 . . . . 0.0 108.52 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.476 HH21 ' ND2' ' A' ' 82' ' ' ASN . 87.3 mtt180 -66.01 -40.01 90.75 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.125 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.59 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.45 -0.781 . . . . 0.0 109.343 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -59.91 -40.05 87.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.997 -1.064 . . . . 0.0 109.148 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.88 82.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 109.553 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.72 -41.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 0.0 111.057 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.31 -40.04 94.99 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.539 -1.351 . . . . 0.0 108.553 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.0 -45.24 93.39 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 118.952 -1.099 . . . . 0.0 108.205 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 35.7 m-85 -62.69 -40.06 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.603 178.867 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.58 -39.31 83.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.923 -1.111 . . . . 0.0 108.913 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.816 -1.178 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.97 -39.4 85.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.162 -0.961 . . . . 0.0 109.115 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.71 -39.91 86.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.07 -1.019 . . . . 0.0 109.148 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.92 79.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.766 -1.209 . . . . 0.0 108.238 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.125 179.718 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 53.7 t-20 . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.19 127.9 40.3 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p -80.01 110.35 15.31 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.836 -1.165 . . . . 0.0 107.951 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.94 136.04 37.13 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.68 0.752 . . . . 0.0 109.791 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.623 HG23 ' O ' ' C' ' 78' ' ' THR . 9.1 t -91.59 116.03 65.66 Favored Pre-proline 0 N--CA 1.49 1.568 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -89.76 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.361 1.374 . . . . 0.0 114.216 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.41 -42.33 2.35 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.1 p90 -59.71 -48.73 80.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.36 -1.462 . . . . 0.0 113.045 -175.188 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 11.4 m120 -73.36 -45.79 52.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 119.833 -1.792 . . . . 0.0 110.598 -179.304 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.1 -49.95 75.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.94 -1.1 . . . . 0.0 110.884 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.26 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.671 -1.268 . . . . 0.0 109.753 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 81' ' ' TRP . 75.6 p -70.11 -39.92 75.2 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.02 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -69.1 -40.0 78.63 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.514 -178.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.36 -42.36 95.63 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.429 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.98 -41.3 97.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.317 -0.865 . . . . 0.0 108.881 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.5 t90 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.544 -0.723 . . . . 0.0 109.487 179.541 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.06 96.52 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.365 -0.834 . . . . 0.0 109.465 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.42 -41.97 99.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.208 -0.932 . . . . 0.0 110.37 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.88 -43.53 94.69 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.779 -1.201 . . . . 0.0 108.611 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.85 -42.11 91.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 94' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 61.8 t0 -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.504 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.99 -39.98 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.78 -1.2 . . . . 0.0 109.009 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.58 -43.78 92.76 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 109.684 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.37 -44.03 95.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.859 -1.15 . . . . 0.0 109.52 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.04 -40.24 92.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.3 -0.875 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -64.98 -40.02 94.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.854 . . . . 0.0 109.86 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.15 -40.14 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.0 -1.062 . . . . 0.0 109.684 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.0 p -62.48 -40.28 96.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.968 -1.083 . . . . 0.0 109.313 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.04 83.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.231 -0.918 . . . . 0.0 109.71 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.63 -39.97 94.64 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.13 -0.981 . . . . 0.0 109.741 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.8 -41.88 91.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.044 -1.035 . . . . 0.0 108.989 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -45.9 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.635 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.1 -39.98 90.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.258 -0.901 . . . . 0.0 109.017 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.96 97.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.297 -0.877 . . . . 0.0 109.354 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.02 -49.91 75.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.13 -50.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.13 -0.981 . . . . 0.0 109.012 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.75 -40.13 91.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.465 -0.772 . . . . 0.0 110.024 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.96 -45.96 90.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 109.858 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.23 -40.05 90.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.98 -1.075 . . . . 0.0 109.529 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -65.68 -40.09 91.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.084 -1.01 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -62.41 -41.78 98.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.794 -1.192 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.942 . . . . 0.0 109.318 179.821 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -66.18 -39.61 89.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.427 -0.796 . . . . 0.0 109.037 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.93 -42.38 93.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.139 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.515 ' N ' HG23 ' A' ' 5' ' ' THR . 59.8 tp -60.09 -44.53 94.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 108.844 179.142 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.09 -39.77 87.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.554 -0.716 . . . . 0.0 109.683 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.02 87.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.044 -1.035 . . . . 0.0 108.592 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.2 -47.02 55.42 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.06 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -1.1 . . . . 0.0 109.911 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.19 -41.44 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.35 -40.87 92.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.11 -40.75 90.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.272 -0.893 . . . . 0.0 109.666 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.07 -41.59 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.974 . . . . 0.0 109.285 -179.598 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.21 -40.9 95.69 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -0.976 . . . . 0.0 109.439 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 96.6 mt-30 -64.14 -40.06 95.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.51 -41.56 98.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.19 -0.944 . . . . 0.0 109.499 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 HD23 ' A' ' 104' ' ' LEU . 55.5 tp -60.85 -42.09 97.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.263 -0.898 . . . . 0.0 109.102 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.0 -46.98 87.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.156 -0.965 . . . . 0.0 110.105 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.8 t -59.99 -40.09 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.608 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.0 -43.85 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.197 -0.94 . . . . 0.0 108.835 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.17 -41.23 92.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.564 -0.71 . . . . 0.0 109.281 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HE ' HD11 ' B' ' 103' ' ' LEU . 52.4 mtt-85 -60.64 -39.95 90.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.125 -0.984 . . . . 0.0 108.6 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.95 -47.33 86.24 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.094 -1.004 . . . . 0.0 109.313 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.01 -41.27 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.016 -1.053 . . . . 0.0 109.675 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.27 -40.01 94.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.177 -0.952 . . . . 0.0 109.244 179.567 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.04 -40.29 88.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 108.934 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.44 -40.45 91.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.453 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.1 mt -63.45 -40.69 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.967 -1.083 . . . . 0.0 109.325 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -64.05 -40.05 95.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.105 -0.997 . . . . 0.0 109.185 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 54.4 t -60.53 -40.03 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.393 -0.817 . . . . 0.0 109.278 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.11 -40.75 90.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.226 -0.921 . . . . 0.0 109.639 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.7 97.0 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.85 -1.382 . . . . 0.0 109.324 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.3 mttp -61.36 -39.95 92.49 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.421 178.627 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -59.93 -40.46 88.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.433 -0.792 . . . . 0.0 109.697 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 38' ' ' LEU . 87.8 mt -60.09 -40.06 88.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.934 -1.104 . . . . 0.0 108.782 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.99 -39.52 85.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.431 -0.793 . . . . 0.0 108.862 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.7 p -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.746 -1.221 . . . . 0.0 108.897 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.6 mtt-85 -62.86 -40.04 96.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.684 -1.26 . . . . 0.0 108.397 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.64 -41.11 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.626 -0.671 . . . . 0.0 109.726 -179.579 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -59.93 -40.03 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.898 -1.126 . . . . 0.0 109.334 -179.51 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.84 85.23 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.116 -0.99 . . . . 0.0 108.708 179.066 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.68 -39.94 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.752 -0.592 . . . . 0.0 109.805 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 8.0 mm-40 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 108.691 -179.047 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.33 -45.41 94.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.485 -0.759 . . . . 0.0 109.567 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.1 m-85 -64.73 -39.99 94.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 HE22 ' C' ' 52' ' ' GLN . 83.5 mt -59.95 -39.94 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.952 -1.093 . . . . 0.0 108.924 -179.597 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.142 . . . . 0.0 108.649 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.01 -41.17 91.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.556 -0.715 . . . . 0.0 109.776 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.417 HE22 HD22 ' B' ' 49' ' ' LEU . 25.3 mt-30 -60.89 -39.93 91.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.195 -0.941 . . . . 0.0 109.835 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.5 75.69 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.819 -1.176 . . . . 0.0 107.885 179.323 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.033 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 8.6 t-20 . . . . . 0 N--CA 1.498 1.971 0 CA-C-O 121.903 0.859 . . . . 0.0 108.885 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -93.29 122.54 35.79 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.447 ' HG ' ' HH ' ' C' ' 48' ' ' TYR . 1.6 m -86.06 101.03 12.59 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.487 0.66 . . . . 0.0 109.561 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 78' ' ' THR . 12.2 t -96.51 112.26 59.54 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -91.05 -48.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.214 0 C-N-CA 121.455 1.436 . . . . 0.0 114.124 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.33 -44.94 2.24 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.1 p90 -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.155 -1.591 . . . . 0.0 112.379 -175.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.2 OUTLIER -79.26 -37.8 37.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.079 -1.638 . . . . 0.0 109.709 -179.556 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.97 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.193 -0.942 . . . . 0.0 109.777 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.98 -40.93 97.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.897 -1.127 . . . . 0.0 109.364 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 81' ' ' TRP . 82.1 p -67.52 -40.06 85.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.157 -0.964 . . . . 0.0 109.445 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 54.1 t-105 -63.81 -39.99 95.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.025 . . . . 0.0 109.316 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.22 -40.48 90.29 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.046 -1.033 . . . . 0.0 109.132 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.54 -40.76 92.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.026 -1.046 . . . . 0.0 108.759 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.438 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.2 t90 -60.04 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.199 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.39 -42.35 98.58 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 179.787 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' A' ' 91' ' ' ARG . 42.6 mtt-85 -61.73 -40.19 94.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.22 -42.83 99.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.738 -1.226 . . . . 0.0 109.575 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.16 -40.48 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.041 -1.037 . . . . 0.0 108.719 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -60.72 -43.16 98.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.477 -0.764 . . . . 0.0 110.532 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.61 -39.96 80.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.809 -1.182 . . . . 0.0 109.725 -179.359 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.03 -40.27 82.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.162 -0.961 . . . . 0.0 108.867 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.04 -48.32 82.2 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.355 -0.841 . . . . 0.0 109.17 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.08 -42.23 94.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.348 -0.845 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -63.28 -40.04 96.28 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.35 -0.844 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.39 -40.43 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -61.43 -41.34 97.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.05 75.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 109.446 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' C' ' 23' ' ' ARG . 92.1 mt -61.12 -42.9 99.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.042 -1.036 . . . . 0.0 109.463 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 18' ' ' LEU . 85.1 mt -60.06 -47.38 86.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.175 -0.953 . . . . 0.0 108.642 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -49.59 77.08 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.086 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.83 -41.9 96.67 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.33 97.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 110.074 -179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.16 -43.85 98.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 109.53 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.13 -50.01 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.299 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.03 94.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 0.0 110.057 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.145 -0.972 . . . . 0.0 109.762 -179.53 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.87 -40.0 95.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.08 -1.013 . . . . 0.0 109.589 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.44 -40.07 95.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.204 -0.935 . . . . 0.0 109.795 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.28 -42.8 99.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.487 1.421 0 O-C-N 121.053 -1.03 . . . . 0.0 108.405 179.125 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.28 -39.63 89.54 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.43 -0.794 . . . . 0.0 109.048 179.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.0 t -60.07 -42.29 94.23 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 109.142 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' B' ' 5' ' ' THR . 59.3 tp -60.04 -44.69 94.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 108.79 179.123 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.373 -0.829 . . . . 0.0 109.602 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.0 85.92 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.022 -1.049 . . . . 0.0 108.71 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.83 55.31 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -49.93 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -1.075 . . . . 0.0 109.942 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.36 -41.73 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 109.503 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.08 -40.96 91.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.204 -0.935 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.06 -40.52 89.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 0.0 109.769 -179.618 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 109.41 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.26 -40.5 94.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.414 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.416 ' NE2' ' OE1' ' C' ' 110' ' ' GLN . 96.1 mt-30 -64.51 -39.98 94.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.59 -41.6 98.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 0.0 109.474 179.528 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.466 HD11 HD23 ' B' ' 104' ' ' LEU . 55.5 tp -60.66 -42.09 96.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.368 -0.833 . . . . 0.0 109.2 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.16 -46.78 88.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.061 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -60.11 -40.1 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.077 -1.015 . . . . 0.0 109.478 -179.338 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.04 -44.05 93.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.218 -0.926 . . . . 0.0 108.937 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -41.22 91.87 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.539 -0.726 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.44 ' HE ' HD11 ' C' ' 103' ' ' LEU . 51.7 mtt-85 -60.61 -40.02 90.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 109.941 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.651 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.89 -47.44 85.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.185 -0.947 . . . . 0.0 109.229 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.89 -41.25 99.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.014 -1.054 . . . . 0.0 109.738 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.1 tp -62.33 -40.02 95.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 109.304 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.02 -40.52 89.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.154 -0.967 . . . . 0.0 109.111 179.007 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.1 -40.92 91.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.9 mt -63.01 -40.92 99.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.895 -1.128 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.1 p -63.93 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.527 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 54.4 t -60.63 -40.01 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.307 -0.871 . . . . 0.0 109.295 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -60.02 -40.79 90.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.488 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.65 97.04 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.563 -1.303 . . . . 0.0 109.969 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.09 -49.96 75.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.852 -1.381 . . . . 0.0 109.234 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.527 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.4 mttp -61.33 -40.01 92.65 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.26 -0.9 . . . . 0.0 109.523 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -60.0 -40.44 89.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.42 -0.8 . . . . 0.0 109.68 -178.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.922 -1.111 . . . . 0.0 108.875 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.04 -39.47 86.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 45.1 p -59.93 -41.61 92.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.69 -1.256 . . . . 0.0 108.906 -179.339 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.578 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.5 mtt-85 -63.07 -39.97 96.29 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.457 -1.297 . . . . 0.0 108.34 178.335 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.59 -41.07 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.52 -0.737 . . . . 0.0 109.814 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.0 p -59.99 -39.97 87.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.97 -1.081 . . . . 0.0 109.27 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.61 85.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 108.745 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.84 -39.98 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.635 -0.665 . . . . 0.0 109.702 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.486 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 8.0 mm-40 -59.97 -40.07 87.84 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.155 -0.966 . . . . 0.0 108.654 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.41 -45.25 95.11 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.696 -0.801 . . . . 0.0 109.548 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.7 m-85 -64.72 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.417 HD22 HE22 ' A' ' 52' ' ' GLN . 83.6 mt -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.975 -1.078 . . . . 0.0 108.839 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -62.84 -39.99 96.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.815 -1.178 . . . . 0.0 108.665 178.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.0 -41.05 91.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.507 -0.746 . . . . 0.0 109.85 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.413 ' CD ' ' OE1' ' A' ' 52' ' ' GLN . 25.4 mt-30 -60.92 -39.95 91.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.773 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.41 75.32 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 120.838 -1.164 . . . . 0.0 107.877 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 C--N 1.304 -1.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.015 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 8.8 t-20 . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 121.855 0.836 . . . . 0.0 108.798 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -93.41 122.73 36.13 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -86.32 100.85 12.58 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 mt -84.61 133.44 34.42 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.498 0.666 . . . . 0.0 109.539 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.679 HG23 ' O ' ' B' ' 78' ' ' THR . 12.4 t -96.25 112.48 59.9 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -91.07 -49.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.52 1.48 . . . . 0.0 114.104 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -122.03 -45.01 2.27 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.663 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.1 p90 -59.82 -52.89 63.54 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.162 -1.586 . . . . 0.0 112.389 -175.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.663 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 14.2 t-20 -79.18 -37.73 37.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 119.933 -1.729 . . . . 0.0 109.649 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' B' ' 78' ' ' THR . 17.4 m120 -60.02 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.12 -0.988 . . . . 0.0 109.795 -179.514 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.14 -41.0 97.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.921 -1.112 . . . . 0.0 109.281 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.616 HG23 ' O ' ' B' ' 81' ' ' TRP . 82.6 p -67.55 -39.93 84.96 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.179 -0.951 . . . . 0.0 109.385 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 54.2 t-105 -63.74 -40.0 95.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.97 -1.081 . . . . 0.0 109.35 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.23 -40.57 90.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.955 -1.09 . . . . 0.0 108.994 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -40.95 92.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.76 178.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.453 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 56.5 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.367 -0.833 . . . . 0.0 109.185 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.43 -42.2 98.38 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.211 -0.931 . . . . 0.0 109.767 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' B' ' 91' ' ' ARG . 43.1 mtt-85 -61.62 -40.68 95.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 110.616 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.83 -42.75 98.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.682 -1.261 . . . . 0.0 109.672 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.49 -40.39 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.04 -1.037 . . . . 0.0 108.66 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.63 -43.24 97.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.51 -0.744 . . . . 0.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.46 -40.1 81.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.864 -1.147 . . . . 0.0 109.637 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -40.0 83.04 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.92 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.01 -48.52 81.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.286 -0.884 . . . . 0.0 109.111 179.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.03 -42.21 93.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.175 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -63.56 -40.05 95.98 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.222 -0.924 . . . . 0.0 109.461 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.1 -40.54 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 109.202 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 -41.1 96.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.082 -1.011 . . . . 0.0 109.666 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.57 77.12 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.121 -0.987 . . . . 0.0 109.584 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.478 HD11 ' HE ' ' A' ' 23' ' ' ARG . 90.1 mt -61.68 -42.73 99.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.466 HD23 HD11 ' B' ' 18' ' ' LEU . 85.3 mt -60.12 -47.43 85.93 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.557 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -49.49 77.46 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.418 -0.801 . . . . 0.0 109.078 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.75 -41.81 96.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.507 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.22 99.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 0.0 110.065 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.14 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.983 -1.073 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.314 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.456 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 28.6 mt-30 -65.24 -40.06 93.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.03 -49.63 76.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 0.0 109.813 -179.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.01 -40.12 95.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.006 -1.059 . . . . 0.0 109.561 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.33 -40.07 95.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.898 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.39 -42.59 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.035 -1.04 . . . . 0.0 109.95 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 108.417 179.129 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.561 0.696 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.13 -39.86 90.19 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.0 t -59.88 -42.43 93.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.29 -0.881 . . . . 0.0 109.113 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' C' ' 5' ' ' THR . 59.5 tp -60.03 -44.6 94.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.713 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.05 -39.85 87.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.816 . . . . 0.0 109.631 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.987 -1.07 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.23 -46.98 55.39 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 178.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.356 -1.085 . . . . 0.0 109.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.35 -41.62 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.413 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.06 -40.71 90.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.03 -41.73 92.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.091 -1.005 . . . . 0.0 109.248 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.09 -40.94 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.448 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.98 -40.26 95.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.641 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -63.45 -41.46 98.65 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.189 -0.945 . . . . 0.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.479 HD11 HD23 ' C' ' 104' ' ' LEU . 55.1 tp -60.79 -42.05 96.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.154 -0.966 . . . . 0.0 109.315 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.97 -47.04 87.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 0.0 110.037 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.0 -40.12 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 109.65 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -43.96 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.279 -0.888 . . . . 0.0 108.803 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.06 -41.29 92.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.596 -0.69 . . . . 0.0 109.234 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' A' ' 103' ' ' LEU . 52.5 mtt-85 -60.59 -39.99 90.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 109.915 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.05 -39.87 87.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.118 -0.989 . . . . 0.0 108.623 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -60.07 -46.84 88.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.354 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.9 98.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.179 -0.951 . . . . 0.0 109.27 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.01 -40.42 89.19 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.029 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.438 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -63.11 -41.09 99.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -63.91 -40.01 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.165 -0.96 . . . . 0.0 109.252 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 32' ' ' VAL . . . . . 0.535 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 54.3 t -60.35 -40.15 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.326 -0.859 . . . . 0.0 109.294 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.92 -40.84 90.22 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.237 -0.915 . . . . 0.0 109.646 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.69 96.87 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.587 -1.292 . . . . 0.0 109.954 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.03 -50.06 75.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.971 -1.311 . . . . 0.0 109.269 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 36' ' ' LYS . . . . . 0.535 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.48 -40.11 93.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.807 . . . . 0.0 109.415 178.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.729 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.2 OUTLIER -59.98 -40.27 88.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.655 -178.829 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' C' ' 38' ' ' LEU . 88.5 mt -60.19 -40.07 88.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.91 -1.119 . . . . 0.0 108.779 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.95 -39.55 85.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.33 -0.856 . . . . 0.0 108.893 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 -41.65 92.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.761 -1.212 . . . . 0.0 108.864 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.609 HH22 ' CG ' ' A' ' 82' ' ' ASN . 47.2 mtt-85 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.59 -1.319 . . . . 0.0 108.474 178.193 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.66 -41.16 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 -179.561 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.1 p -59.9 -40.07 87.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.876 -1.14 . . . . 0.0 109.218 -179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.66 85.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.84 -39.99 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 0.0 109.782 179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.481 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 8.0 mm-40 -60.05 -40.04 88.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.169 -0.957 . . . . 0.0 108.604 -179.097 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.34 -45.35 94.78 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.415 -0.803 . . . . 0.0 109.595 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.403 HD22 HE22 ' B' ' 52' ' ' GLN . 83.7 mt -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.911 -1.118 . . . . 0.0 108.844 -179.625 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.59 -40.05 95.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.809 -1.182 . . . . 0.0 108.803 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.03 -41.1 91.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.557 -0.714 . . . . 0.0 109.82 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.407 ' OE1' ' CD ' ' A' ' 52' ' ' GLN . 25.5 mt-30 -60.9 -40.05 91.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -0.972 . . . . 0.0 109.746 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.51 75.31 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.875 -1.141 . . . . 0.0 107.968 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.107 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 8.8 t-20 . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 121.846 0.831 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 75' ' ' ALA . . . . . 0.481 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -93.35 122.51 35.83 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -86.15 101.1 12.69 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.69 133.53 34.38 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.48 0.657 . . . . 0.0 109.5 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.681 HG23 ' O ' ' C' ' 78' ' ' THR . 12.2 t -96.47 112.26 59.48 Favored Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.97 -48.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.421 1.414 . . . . 0.0 114.217 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.35 -44.77 2.24 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.1 p90 -60.01 -52.96 63.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.153 -1.592 . . . . 0.0 112.333 -175.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 14.8 t-20 -79.05 -37.84 37.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 119.973 -1.705 . . . . 0.0 109.745 -179.443 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 83' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' C' ' 78' ' ' THR . 17.4 m120 -59.91 -48.44 81.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.791 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.93 -41.0 97.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.106 -0.996 . . . . 0.0 109.331 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.63 HG23 ' O ' ' C' ' 81' ' ' TRP . 82.6 p -67.6 -40.01 84.77 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -63.79 -40.01 95.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.988 -1.07 . . . . 0.0 109.316 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.09 -40.8 90.85 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.921 -1.112 . . . . 0.0 109.002 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.24 -40.79 91.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 178.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.6 t90 -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.586 -0.696 . . . . 0.0 109.287 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.37 -42.47 98.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 91' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' C' ' 91' ' ' ARG . 42.2 mtt-85 -61.46 -40.55 94.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.908 . . . . 0.0 110.687 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -42.68 98.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.582 -1.324 . . . . 0.0 109.614 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -40.66 86.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.068 -1.02 . . . . 0.0 108.61 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.53 -43.23 97.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.4 -0.812 . . . . 0.0 110.635 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.5 -40.05 81.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.766 -1.209 . . . . 0.0 109.741 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.03 -40.22 82.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.13 -0.981 . . . . 0.0 108.868 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.09 -48.31 82.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 109.205 179.267 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.23 -39.99 96.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.412 -0.805 . . . . 0.0 109.371 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -68.62 -40.23 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 109.24 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -61.72 -41.07 97.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.053 -1.029 . . . . 0.0 109.616 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.94 75.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.186 -0.946 . . . . 0.0 109.503 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.44 HD11 ' HE ' ' B' ' 23' ' ' ARG . 90.4 mt -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.193 -0.942 . . . . 0.0 109.495 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.479 HD23 HD11 ' C' ' 18' ' ' LEU . 85.5 mt -60.08 -47.38 86.14 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.079 -1.013 . . . . 0.0 108.631 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -49.89 75.9 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 108.998 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -42.53 95.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 109.38 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.84 95.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 110.152 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.74 -44.12 97.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 109.46 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.98 -50.0 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.19 -0.944 . . . . 0.0 109.345 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 110' ' ' GLN . . . . . 0.416 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 28.6 mt-30 -65.05 -40.06 94.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.0 110.031 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -60.04 -49.71 76.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.226 -0.921 . . . . 0.0 109.611 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.13 -39.99 95.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.537 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.55 -39.99 95.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 109.769 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.33 -42.51 99.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.995 -1.066 . . . . 0.0 110.056 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.098 -1.002 . . . . 0.0 108.304 179.115 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -62.86 -40.41 97.39 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.659 -0.651 . . . . 0.0 109.558 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.7 t -60.48 -42.54 96.49 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.158 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.514 ' N ' HG23 ' A' ' 5' ' ' THR . 59.1 tp -62.86 -42.52 99.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.337 -0.852 . . . . 0.0 109.141 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.05 -39.61 90.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.392 -0.818 . . . . 0.0 109.658 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.43 88.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 0.0 108.642 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.32 -46.29 64.81 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -48.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.466 -1.02 . . . . 0.0 109.478 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.05 -45.86 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.93 -39.94 91.35 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.022 -1.049 . . . . 0.0 109.553 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.78 -41.13 90.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -0.963 . . . . 0.0 109.604 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.914 -1.116 . . . . 0.0 109.436 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.03 -42.92 99.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.136 -0.977 . . . . 0.0 108.775 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.74 -42.03 98.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.302 -0.874 . . . . 0.0 109.256 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.93 -40.83 95.66 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.118 -0.988 . . . . 0.0 109.125 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -43.78 94.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -47.94 83.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.278 -0.889 . . . . 0.0 109.875 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG13 HG23 ' B' ' 100' ' ' ILE . 78.3 t -60.5 -41.1 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.175 -0.953 . . . . 0.0 109.559 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -45.49 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.248 -0.908 . . . . 0.0 109.018 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.66 -42.21 96.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.673 -0.642 . . . . 0.0 109.669 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' A' ' 23' ' ' ARG . 48.9 mtt-85 -60.55 -39.95 89.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.632 -0.668 . . . . 0.0 109.774 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -59.79 -39.82 86.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 108.72 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.09 -48.18 82.79 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 108.822 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.66 -41.18 98.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD23 HD13 ' B' ' 28' ' ' LEU . 22.9 tp -62.01 -40.15 94.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 108.989 179.72 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 HD23 ' C' ' 27' ' ' LEU . 19.3 mt -60.31 -40.21 89.76 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.58 -0.7 . . . . 0.0 109.36 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.52 -40.21 90.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.2 mt -62.19 -41.2 98.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.159 -0.963 . . . . 0.0 109.33 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.6 p -64.35 -40.06 95.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.275 -0.891 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.2 -40.5 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.0 108.948 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.05 -41.44 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.173 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -47.53 90.53 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -60.07 -49.38 77.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.265 . . . . 0.0 109.498 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -60.94 -40.05 91.81 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.352 -0.843 . . . . 0.0 109.763 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.581 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -60.01 -40.36 88.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.635 -179.718 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.09 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.96 -40.23 88.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 109.575 -179.541 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.2 p -59.98 -40.45 89.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.739 -1.225 . . . . 0.0 108.798 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 29.7 mtt-85 -63.98 -40.0 95.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 108.485 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.09 -41.65 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.083 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -61.14 -40.03 92.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.991 -1.068 . . . . 0.0 110.017 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.31 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.085 -1.634 . . . . 0.0 108.999 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.02 -39.87 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.597 -0.689 . . . . 0.0 109.86 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -39.72 87.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 0.0 108.896 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.34 -41.29 93.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.113 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 46.6 m-85 -67.17 -38.79 86.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.861 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.92 -40.0 87.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.824 -1.172 . . . . 0.0 108.701 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -60.2 -39.77 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.692 -1.255 . . . . 0.0 108.354 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 57.9 t0 -60.08 -39.89 87.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.297 -0.877 . . . . 0.0 108.786 178.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 5.6 tm0? -59.94 -39.84 86.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.28 -0.888 . . . . 0.0 108.864 -179.45 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -59.8 -36.43 76.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.999 -1.063 . . . . 0.0 108.672 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.262 -0.899 . . . . 0.0 109.562 -179.618 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 43.0 t30 . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.76 125.49 34.46 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.761 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 t -80.09 112.37 17.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.931 -1.106 . . . . 0.0 108.306 -178.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.82 135.79 37.16 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.794 0.807 . . . . 0.0 109.955 -178.144 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 78' ' ' THR . 7.2 t -90.84 113.87 59.45 Favored Pre-proline 0 C--N 1.299 -1.606 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -91.88 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.511 1.474 . . . . 0.0 114.353 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -121.8 -43.78 2.35 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.106 -0.996 . . . . 0.0 113.336 -177.037 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.88 -48.08 83.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.684 -1.26 . . . . 0.0 112.78 -175.751 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.8 t30 -72.59 -46.82 52.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.091 -1.63 . . . . 0.0 110.177 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.0 -50.16 74.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 110.344 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.73 -45.63 93.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.917 -1.114 . . . . 0.0 109.362 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 81' ' ' TRP . 48.4 p -68.43 -40.02 81.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.087 -1.008 . . . . 0.0 109.767 -179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.5 -40.11 92.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.974 -1.079 . . . . 0.0 109.265 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.1 -41.41 92.48 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.546 -1.346 . . . . 0.0 108.505 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.17 -43.18 96.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.3 t90 -60.29 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.59 -41.6 98.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -63.43 -40.67 97.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.078 -1.014 . . . . 0.0 110.379 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.34 -42.78 96.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.667 -1.27 . . . . 0.0 108.618 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.43 -40.91 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.388 -0.82 . . . . 0.0 109.133 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.91 -48.16 82.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.043 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -60.29 -45.36 93.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.924 -1.11 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.251 -0.906 . . . . 0.0 108.853 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 101' ' ' THR . 86.2 tt0 -60.12 -47.63 85.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.303 -0.873 . . . . 0.0 109.423 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.62 -44.86 95.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.749 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.465 ' OD1' ' CZ ' ' C' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -40.97 96.75 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.591 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 HG13 ' C' ' 20' ' ' VAL . 83.0 mt -65.17 -40.91 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.977 -1.077 . . . . 0.0 109.418 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 97' ' ' GLU . 40.8 p -62.4 -40.71 97.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.091 -1.006 . . . . 0.0 109.141 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -48.02 82.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.455 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.05 -42.61 99.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.231 -0.918 . . . . 0.0 109.41 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.13 -46.1 91.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.867 . . . . 0.0 109.064 179.21 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.45 -49.44 77.57 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 109.199 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.58 -41.36 94.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.4 96.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.952 -1.093 . . . . 0.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.23 -47.45 85.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.18 -0.95 . . . . 0.0 109.243 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -49.7 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.237 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -65.59 -40.1 92.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.378 -0.826 . . . . 0.0 109.357 -179.623 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.07 -48.23 82.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.372 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.99 -41.34 96.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.415 -0.803 . . . . 0.0 109.262 179.59 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.59 -40.74 97.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.021 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -66.32 -42.71 87.84 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 109.48 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 C--N 1.298 -1.645 0 O-C-N 121.051 -1.031 . . . . 0.0 108.981 179.412 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.773 0.797 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -63.23 -40.22 96.83 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.5 -0.75 . . . . 0.0 109.352 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.3 t -60.35 -42.46 95.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.526 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -62.73 -42.79 99.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.481 -0.762 . . . . 0.0 109.014 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.06 -39.84 91.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.629 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.14 86.07 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.878 -1.139 . . . . 0.0 108.708 -179.414 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -46.58 61.22 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.02 -49.14 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.466 -1.02 . . . . 0.0 109.479 179.376 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.36 -45.43 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.957 -1.089 . . . . 0.0 109.585 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.57 -39.81 89.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.26 -41.1 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.246 -0.909 . . . . 0.0 109.498 -178.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.08 -40.74 96.85 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.932 -1.105 . . . . 0.0 109.576 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -61.02 -42.82 99.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 108.714 179.543 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.11 -42.39 99.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.395 -0.816 . . . . 0.0 109.137 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.41 -40.84 96.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.991 -1.068 . . . . 0.0 109.157 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.34 -43.51 96.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.812 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.33 -47.93 83.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.423 HG13 HG23 ' C' ' 100' ' ' ILE . 77.0 t -60.29 -41.29 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.947 . . . . 0.0 109.395 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.15 -45.93 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.33 -0.856 . . . . 0.0 109.172 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.24 -42.56 95.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.641 -0.662 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.45 ' CZ ' ' OD1' ' C' ' 99' ' ' ASN . 49.3 mtt-85 -60.45 -39.46 87.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.512 -0.743 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -40.05 87.81 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.81 -48.2 82.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.092 -1.005 . . . . 0.0 108.856 179.14 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.5 -41.13 98.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.162 -0.961 . . . . 0.0 109.69 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.435 HD23 HD13 ' C' ' 28' ' ' LEU . 23.0 tp -62.28 -39.96 94.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.053 179.616 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.41 HD13 HD23 ' A' ' 27' ' ' LEU . 19.5 mt -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.36 90.56 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.202 -0.936 . . . . 0.0 109.2 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -62.19 -41.12 98.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.959 -1.088 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.7 p -64.45 -40.02 94.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.431 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.98 -40.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.0 109.007 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.2 -40.97 91.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.174 -0.954 . . . . 0.0 109.933 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.38 91.24 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.427 -1.368 . . . . 0.0 109.711 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.07 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.876 -1.367 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.3 -39.78 88.14 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.334 -0.854 . . . . 0.0 109.607 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.542 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.3 OUTLIER -60.31 -39.99 88.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.087 -1.008 . . . . 0.0 109.791 -179.765 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 38' ' ' LEU . 86.2 mt -60.08 -39.94 87.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.874 -1.141 . . . . 0.0 109.071 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.07 -40.35 89.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.529 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 59.5 p -60.06 -40.28 88.93 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.744 -1.223 . . . . 0.0 108.814 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 29.4 mtt-85 -63.96 -40.16 95.79 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.89 -42.16 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.455 -0.778 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.2 p -60.48 -40.22 90.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.972 . . . . 0.0 109.976 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.62 82.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.241 -1.537 . . . . 0.0 109.122 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.98 -39.9 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.52 -0.738 . . . . 0.0 109.895 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -39.56 87.57 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.234 -0.916 . . . . 0.0 108.73 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.087 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -66.44 -39.17 88.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.98 -39.88 87.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.845 -1.159 . . . . 0.0 108.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.94 -39.87 87.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.617 -1.302 . . . . 0.0 108.136 178.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 51' ' ' ASP . 56.4 t0 -60.15 -39.84 87.77 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 5.6 tm0? -59.76 -39.76 85.89 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.381 -0.824 . . . . 0.0 108.984 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.468 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -59.94 -36.74 77.7 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.935 -1.103 . . . . 0.0 108.759 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.356 -0.84 . . . . 0.0 109.437 -179.654 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 43.8 t30 . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.59 125.32 34.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -79.97 112.37 17.21 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.322 -178.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.3 mt -78.73 135.81 37.24 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.551 0.691 . . . . 0.0 109.82 -178.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.599 HG23 ' O ' ' B' ' 78' ' ' THR . 7.5 t -90.98 113.72 59.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -91.82 -48.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.566 1.511 . . . . 0.0 114.38 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.06 -43.69 2.32 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.208 -0.932 . . . . 0.0 113.499 -176.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.643 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.89 -47.94 83.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.57 -1.331 . . . . 0.0 112.678 -176.003 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.643 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 62.2 t30 -72.85 -46.92 50.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.124 -1.61 . . . . 0.0 110.126 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.87 -50.08 75.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 110.395 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.08 -44.9 96.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.916 -1.115 . . . . 0.0 109.46 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 81' ' ' TRP . 53.9 p -68.91 -39.95 79.37 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.328 -0.858 . . . . 0.0 109.598 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -65.77 -39.98 91.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.874 -1.141 . . . . 0.0 109.254 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -60.03 -41.35 92.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.689 -1.257 . . . . 0.0 108.442 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.34 -42.83 96.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.9 t90 -60.47 -49.21 78.47 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 179.038 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.67 -41.08 98.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.906 . . . . 0.0 109.937 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -63.66 -40.24 96.36 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.171 -0.956 . . . . 0.0 110.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.76 -42.57 97.69 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.514 -1.275 . . . . 0.0 108.786 179.215 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.58 -41.16 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.27 -0.894 . . . . 0.0 108.92 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.8 t0 -60.01 -47.61 85.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.503 -0.748 . . . . 0.0 110.028 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.71 -45.25 94.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.776 -1.202 . . . . 0.0 109.613 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.46 -42.79 95.74 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.069 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 101' ' ' THR . 86.4 tt0 -60.6 -48.15 83.07 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.301 -0.874 . . . . 0.0 109.238 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.23 -44.38 95.24 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.376 -0.827 . . . . 0.0 109.623 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.478 HD22 ' C ' ' B' ' 99' ' ' ASN . 0.3 OUTLIER -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.303 -0.873 . . . . 0.0 109.47 -179.489 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 20' ' ' VAL . 83.1 mt -65.18 -41.24 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.414 HG23 ' O ' ' B' ' 97' ' ' GLU . 41.0 p -62.24 -40.86 97.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.928 -1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.91 83.43 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.4 -0.813 . . . . 0.0 109.527 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.79 -43.19 99.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.214 -0.929 . . . . 0.0 109.099 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.47 -46.53 89.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.96 -49.65 76.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 0.0 109.399 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.79 -40.97 94.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.71 98.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.005 -1.06 . . . . 0.0 109.358 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.18 -47.47 85.82 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.091 -1.006 . . . . 0.0 109.116 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.1 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.074 -1.016 . . . . 0.0 109.286 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -65.24 -39.96 93.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.57 -0.706 . . . . 0.0 109.842 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -59.89 -48.41 81.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.403 -0.81 . . . . 0.0 108.965 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.02 -40.97 95.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.119 -0.988 . . . . 0.0 109.492 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.44 -40.81 97.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.32 -42.96 87.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.0 109.809 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 16.0 ttt . . . . . 0 C--N 1.302 -1.488 0 O-C-N 121.276 -0.89 . . . . 0.0 108.797 179.114 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.06 -40.13 96.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.552 -0.717 . . . . 0.0 109.229 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.515 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.48 -43.07 97.36 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.105 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.515 ' N ' HG23 ' C' ' 5' ' ' THR . 58.9 tp -62.4 -42.86 99.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.299 -0.876 . . . . 0.0 109.105 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.74 -39.96 90.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.524 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.72 -46.25 61.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.626 -1.79 . . . . 0.0 108.626 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -49.14 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.583 -0.951 . . . . 0.0 109.555 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.09 -45.62 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.134 -0.979 . . . . 0.0 109.286 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.6 -39.65 88.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.086 . . . . 0.0 109.717 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.13 -41.55 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.395 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.75 -40.89 96.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.927 -1.108 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -61.37 -42.5 98.81 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.035 -1.041 . . . . 0.0 108.7 179.608 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -62.13 -41.73 98.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.289 -0.882 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.93 -41.19 95.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.344 -0.847 . . . . 0.0 109.093 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.1 -43.48 95.53 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.24 -48.21 82.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.306 -0.871 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.412 HG13 HG23 ' A' ' 100' ' ' ILE . 77.9 t -60.08 -41.09 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 109.487 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.92 -46.15 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 108.96 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.11 -42.51 94.89 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.526 0.679 . . . . 0.0 109.762 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.465 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 50.5 mtt-85 -60.82 -39.67 89.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.685 -0.635 . . . . 0.0 109.732 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -39.77 86.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.116 -0.99 . . . . 0.0 108.67 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.16 -48.09 83.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 108.835 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.61 -41.19 98.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.747 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.402 HD23 HD13 ' A' ' 28' ' ' LEU . 22.2 tp -62.16 -40.23 95.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 108.685 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.435 HD13 HD23 ' B' ' 27' ' ' LEU . 19.3 mt -60.22 -40.06 88.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.448 -0.782 . . . . 0.0 109.318 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.22 -40.29 89.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.307 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.3 mt -62.31 -41.81 98.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.129 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -63.82 -39.88 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.084 -1.01 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.26 -40.31 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 108.928 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.1 -41.5 92.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 0.0 110.245 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.66 -47.24 91.9 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.38 -49.95 75.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.893 -1.357 . . . . 0.0 109.462 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.429 -0.795 . . . . 0.0 109.585 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.684 HD21 ' NH2' ' C' ' 41' ' ' ARG . 60.0 t-20 -60.19 -40.46 90.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 109.79 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.18 -39.96 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.022 -1.049 . . . . 0.0 109.013 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.93 -40.05 87.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.979 -1.076 . . . . 0.0 109.63 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.1 p -60.1 -40.27 89.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.717 -1.239 . . . . 0.0 108.722 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.684 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.6 mtt-85 -64.08 -39.99 95.27 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.18 -41.47 86.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.333 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.0 p -61.31 -40.05 92.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.917 -1.114 . . . . 0.0 110.057 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.65 81.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.339 -1.476 . . . . 0.0 108.891 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.6 mt -63.65 -40.1 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 109.86 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -39.8 87.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.097 -1.002 . . . . 0.0 108.841 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.05 -41.65 92.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.344 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 47.2 m-85 -66.98 -38.95 87.0 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.367 -0.833 . . . . 0.0 109.695 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.12 -39.9 87.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.89 -1.131 . . . . 0.0 108.497 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.89 -40.01 87.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.563 -1.335 . . . . 0.0 108.378 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -60.12 -39.77 87.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.296 -0.878 . . . . 0.0 108.722 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 5.5 tm0? -59.53 -40.01 85.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.125 -0.984 . . . . 0.0 109.059 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.484 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -59.96 -36.45 77.14 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.955 -1.091 . . . . 0.0 108.758 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.065 -1.022 . . . . 0.0 109.338 -179.8 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 42.9 t30 . . . . . 0 N--CA 1.5 2.065 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 125.4 34.46 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.5 t -80.02 112.41 17.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.323 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.8 135.95 37.22 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.725 0.774 . . . . 0.0 109.821 -178.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.604 HG23 ' O ' ' C' ' 78' ' ' THR . 7.4 t -91.09 113.65 58.95 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.59 -48.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.81 1.674 . . . . 0.0 114.43 -179.333 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -121.77 -43.71 2.35 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.159 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -59.91 -48.04 83.3 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.432 -1.418 . . . . 0.0 112.752 -175.854 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.7 t30 -72.4 -46.8 53.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.082 -1.636 . . . . 0.0 110.161 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -60.18 -49.99 75.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.897 -1.127 . . . . 0.0 110.469 -178.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.18 -44.88 96.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.957 -1.089 . . . . 0.0 109.433 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 81' ' ' TRP . 45.5 p -68.83 -40.04 79.65 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.12 -0.987 . . . . 0.0 109.792 -179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -65.38 -39.98 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.976 -1.078 . . . . 0.0 109.41 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.15 -42.14 94.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.814 -1.179 . . . . 0.0 108.297 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -42.91 95.6 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.503 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.2 t90 -60.06 -49.43 77.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.081 178.828 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.97 -42.78 99.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.709 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -62.11 -40.89 97.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 110.401 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.57 -42.71 97.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.614 -1.304 . . . . 0.0 108.948 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.6 -40.79 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.3 -0.875 . . . . 0.0 108.857 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.1 -48.12 83.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.865 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -60.3 -45.46 93.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.927 -1.108 . . . . 0.0 109.597 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.3 -42.82 96.18 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.942 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.418 ' O ' HG23 ' C' ' 101' ' ' THR . 86.1 tt0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.417 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.1 -44.06 95.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.454 -0.779 . . . . 0.0 109.701 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.455 HD22 ' C ' ' C' ' 99' ' ' ASN . 0.4 OUTLIER -64.92 -40.97 95.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 109.481 -179.644 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.423 HG23 HG13 ' B' ' 20' ' ' VAL . 83.7 mt -65.07 -40.74 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.47 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.8 p -62.81 -40.67 98.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.993 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.69 80.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.296 -0.878 . . . . 0.0 109.446 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -43.56 98.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.14 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -46.57 89.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.117 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.1 -49.77 76.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.806 . . . . 0.0 109.315 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.23 -41.38 92.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.419 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.7 97.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.863 . . . . 0.0 109.622 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.09 -47.61 85.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.353 -0.842 . . . . 0.0 109.243 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.198 -0.939 . . . . 0.0 109.21 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -65.05 -40.15 94.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.39 -0.819 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -60.06 -48.72 80.56 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.32 -0.863 . . . . 0.0 109.123 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.42 -41.16 93.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.066 -1.021 . . . . 0.0 109.506 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.38 -40.84 97.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.979 -1.075 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -66.57 -42.64 86.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.808 -1.182 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.269 -0.895 . . . . 0.0 108.831 179.466 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -65.06 -40.0 94.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.569 -0.707 . . . . 0.0 109.662 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.4 t -60.5 -42.49 96.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.188 -0.945 . . . . 0.0 109.287 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 62.6 tp -64.45 -40.68 96.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.991 -1.068 . . . . 0.0 108.917 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.79 -40.02 93.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.331 -0.856 . . . . 0.0 109.733 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.92 93.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.872 -1.143 . . . . 0.0 109.087 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.26 81.12 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -48.92 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -1.073 . . . . 0.0 109.475 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.95 -43.54 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.111 -0.993 . . . . 0.0 108.998 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -60.15 -39.96 88.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.29 -41.51 93.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 109.813 -179.339 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.36 -41.84 94.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.008 -1.057 . . . . 0.0 109.472 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.36 -42.61 96.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.344 -0.848 . . . . 0.0 109.141 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.707 179.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.01 -41.48 99.57 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.407 -0.808 . . . . 0.0 109.25 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD23 ' A' ' 104' ' ' LEU . 60.9 tp -61.42 -40.86 95.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.268 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -48.58 81.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.98 -41.25 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.969 . . . . 0.0 109.644 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.19 -44.91 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.4 -41.69 94.4 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.517 -0.74 . . . . 0.0 109.014 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.575 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 42.7 mtt-85 -61.57 -40.4 94.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.318 -0.864 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.995 -1.066 . . . . 0.0 109.417 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.07 -48.98 79.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 0.0 109.491 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.89 -40.59 96.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.154 -0.966 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.25 -40.7 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.209 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.11 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.414 -0.804 . . . . 0.0 109.195 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -40.22 88.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.87 -1.144 . . . . 0.0 109.516 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.0 mt -60.9 -42.84 98.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.254 179.48 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -61.86 -40.08 94.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.14 -0.975 . . . . 0.0 109.48 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.23 -40.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.777 . . . . 0.0 109.08 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.05 -43.25 95.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.577 -0.702 . . . . 0.0 110.084 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -47.44 91.01 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.363 -1.399 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.97 -49.83 76.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.756 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.63 -39.93 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 109.302 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.607 HD21 ' NH2' ' A' ' 41' ' ' ARG . 44.6 t-20 -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.126 -0.984 . . . . 0.0 109.739 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.28 -39.94 88.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.057 -1.027 . . . . 0.0 109.291 178.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -59.78 -40.01 86.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.203 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 62.6 p -60.22 -40.21 89.34 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.008 -1.057 . . . . 0.0 108.259 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.607 ' NH2' HD21 ' A' ' 37' ' ' ASN . 28.7 mtt-85 -64.51 -40.16 95.12 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.93 -41.31 88.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.549 -0.719 . . . . 0.0 109.361 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 40' ' ' THR . 49.1 p -59.65 -40.28 87.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.888 -1.132 . . . . 0.0 109.317 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.8 96.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.149 -0.969 . . . . 0.0 108.975 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.22 -39.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.732 -0.605 . . . . 0.0 109.634 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.87 -40.27 88.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.259 -0.901 . . . . 0.0 109.185 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.92 -41.78 96.83 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.385 -0.822 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 60.1 m-85 -69.52 -38.32 77.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.146 -0.971 . . . . 0.0 110.063 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.836 -1.165 . . . . 0.0 108.148 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.03 -40.65 90.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.771 -1.206 . . . . 0.0 108.169 178.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 60.2 t0 -60.17 -39.61 87.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.504 -0.747 . . . . 0.0 109.112 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 5.5 tm0? -59.11 -40.08 84.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 108.636 -179.407 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.92 . . . . 0.0 109.21 179.246 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 109.009 -179.081 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 53.4 t30 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 121.513 0.673 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.49 125.14 34.13 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -80.85 109.47 15.45 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.219 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.49 136.43 36.31 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 78' ' ' THR . 8.3 t -87.44 115.93 64.45 Favored Pre-proline 0 N--CA 1.49 1.546 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 21.9 Cg_endo -93.22 -47.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.478 1.452 . . . . 0.0 114.287 -179.504 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -121.79 -44.63 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.32 -0.862 . . . . 0.0 113.304 -177.2 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -59.84 -49.59 77.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.524 -1.36 . . . . 0.0 112.672 -175.788 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.5 t30 -71.64 -40.5 69.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.043 -1.661 . . . . 0.0 110.236 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 79' ' ' PRO . 91.7 m-20 -59.96 -50.24 74.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.033 -1.042 . . . . 0.0 110.715 -178.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.97 -1.081 . . . . 0.0 109.519 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.5 p -69.4 -39.97 77.64 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.185 -0.947 . . . . 0.0 109.629 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -67.09 -40.05 86.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.072 -1.017 . . . . 0.0 108.955 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.13 -41.73 93.3 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.876 -1.14 . . . . 0.0 108.565 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.125 -0.984 . . . . 0.0 108.756 178.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.402 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -60.21 -49.0 79.36 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.17 -42.13 99.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' HG2' HH11 ' A' ' 91' ' ' ARG . 49.9 mtt-85 -61.82 -41.58 97.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.336 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.16 -44.28 95.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.71 -40.45 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.419 -0.8 . . . . 0.0 109.47 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.44 -43.81 96.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.55 -0.719 . . . . 0.0 110.564 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -67.5 -40.39 85.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.439 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -41.47 97.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -44.84 89.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.867 -1.146 . . . . 0.0 109.194 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -48.81 80.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.236 -0.915 . . . . 0.0 109.307 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.58 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 34.5 t-20 -60.31 -46.64 89.16 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.397 -0.814 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.08 -43.97 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 p -60.92 -42.3 97.84 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 0.0 109.726 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.51 85.86 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.564 179.531 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.55 HD11 ' HE ' ' C' ' 23' ' ' ARG . 95.0 mt -61.78 -42.47 99.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.192 -0.943 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.408 HD23 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -60.35 -48.8 80.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.271 -0.893 . . . . 0.0 108.982 179.492 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.08 -46.11 90.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 0.0 109.409 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -64.36 -40.18 95.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.341 -0.849 . . . . 0.0 109.094 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.58 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -49.52 77.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.167 -0.958 . . . . 0.0 109.088 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.2 -50.05 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.302 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.58 -42.28 98.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.387 -0.821 . . . . 0.0 109.376 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.16 -49.05 79.15 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.73 -41.34 97.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -0.828 . . . . 0.0 109.4 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.68 -41.69 99.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.0 109.157 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.54 -45.03 92.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.15 -0.969 . . . . 0.0 109.19 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.304 -0.872 . . . . 0.0 108.675 179.267 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -64.51 -39.85 94.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.38 -0.825 . . . . 0.0 109.507 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.51 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.1 t -60.42 -43.01 97.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 0.0 109.283 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.51 ' N ' HG23 ' B' ' 5' ' ' THR . 61.4 tp -63.82 -40.95 97.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.973 . . . . 0.0 108.845 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.55 -39.58 91.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.28 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.913 -1.117 . . . . 0.0 109.059 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.63 -46.41 84.36 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.006 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -48.85 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.502 -0.999 . . . . 0.0 109.509 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.81 -43.28 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 108.964 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.5 -40.5 91.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.265 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -41.62 92.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.747 -179.3 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.24 -42.19 94.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.84 -1.163 . . . . 0.0 109.499 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.01 -43.45 95.23 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.02 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.699 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.35 -41.95 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.34 -0.85 . . . . 0.0 109.328 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.408 HD11 HD23 ' B' ' 104' ' ' LEU . 61.5 tp -61.46 -40.63 95.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.908 . . . . 0.0 109.4 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.03 -48.28 82.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.113 -0.992 . . . . 0.0 109.84 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.19 -41.08 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.941 -1.1 . . . . 0.0 109.593 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -45.2 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.922 . . . . 0.0 109.287 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.04 -41.63 92.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.586 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 42.4 mtt-85 -62.15 -40.21 95.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.53 -0.731 . . . . 0.0 109.591 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.12 -39.78 87.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.078 -1.014 . . . . 0.0 109.413 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -60.24 -48.85 79.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 109.52 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.13 -40.72 96.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.985 -1.072 . . . . 0.0 109.471 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -60.93 -40.37 92.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.293 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.819 . . . . 0.0 109.327 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.48 90.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.934 -1.103 . . . . 0.0 109.302 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -60.82 -42.37 97.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.084 -1.01 . . . . 0.0 109.193 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -62.57 -40.09 95.76 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.869 . . . . 0.0 109.511 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.17 -40.09 82.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.477 -0.764 . . . . 0.0 108.955 179.496 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.28 -42.83 96.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 110.138 -179.242 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.8 89.22 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.12 -49.86 75.98 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.948 -1.325 . . . . 0.0 109.912 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.24 -39.96 96.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.085 -1.01 . . . . 0.0 109.455 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.618 HD21 ' NH2' ' B' ' 41' ' ' ARG . 45.1 t-20 -59.89 -40.21 87.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 109.524 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.23 -39.75 87.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 109.347 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.13 -39.97 88.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.212 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 56.6 p -60.77 -40.07 91.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.618 ' NH2' HD21 ' B' ' 37' ' ' ASN . 28.3 mtt-85 -64.41 -40.08 95.09 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.775 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.36 -41.62 87.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.527 -0.733 . . . . 0.0 109.116 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.4 p -59.82 -40.04 87.11 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.481 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.19 94.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 178.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -59.94 -39.82 81.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.748 -0.595 . . . . 0.0 109.759 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.01 -40.09 88.07 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -178.448 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.17 -41.86 97.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.448 -0.783 . . . . 0.0 109.665 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.31 -38.25 78.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 110.231 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.09 -40.07 88.35 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.93 -1.106 . . . . 0.0 108.282 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.1 -40.55 90.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.566 -1.334 . . . . 0.0 107.89 178.356 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.06 -39.77 87.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.466 -0.771 . . . . 0.0 108.988 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 5.3 tm0? -59.07 -39.95 83.71 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.098 -1.001 . . . . 0.0 109.003 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.481 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -60.35 -35.16 75.03 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.284 -179.114 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 51.0 t30 . . . . . 0 N--CA 1.502 2.161 0 CA-C-O 121.43 0.633 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.15 34.08 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.8 t -81.09 109.88 16.07 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 118.808 -1.157 . . . . 0.0 108.208 -179.034 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 mt -80.94 136.41 36.03 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.434 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 78' ' ' THR . 9.0 t -87.55 116.22 65.44 Favored Pre-proline 0 C--N 1.301 -1.52 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.438 ' O ' ' ND2' ' B' ' 83' ' ' ASN . 18.6 Cg_endo -93.58 -47.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.573 1.516 . . . . 0.0 114.25 -179.703 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -122.04 -44.3 2.3 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.4 p90 -60.23 -49.81 76.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.578 -1.327 . . . . 0.0 112.468 -175.841 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.9 t30 -71.75 -40.31 69.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.078 -1.639 . . . . 0.0 110.17 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 79' ' ' PRO . 91.6 m-20 -60.0 -50.08 75.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.975 . . . . 0.0 110.609 -178.824 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.18 -46.63 89.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.908 -1.12 . . . . 0.0 109.453 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 48.2 p -69.48 -40.09 77.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.979 -1.075 . . . . 0.0 109.658 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -67.0 -39.87 87.2 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.089 -1.044 . . . . 0.0 109.115 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.17 -42.06 94.18 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.79 -1.194 . . . . 0.0 108.468 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.48 -40.25 90.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.09 -1.006 . . . . 0.0 108.804 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.45 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -59.95 -49.95 75.68 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.28 -42.3 99.23 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.332 -0.855 . . . . 0.0 110.034 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' B' ' 91' ' ' ARG . 50.7 mtt-85 -61.81 -41.24 97.52 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.954 -1.092 . . . . 0.0 110.391 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -60.29 -44.12 95.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.96 -1.088 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.97 -40.4 87.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.285 -0.885 . . . . 0.0 109.11 179.543 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.26 -44.0 95.66 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.613 -0.679 . . . . 0.0 110.536 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -67.66 -39.91 84.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.801 -1.187 . . . . 0.0 109.622 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.66 -41.18 96.27 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.174 -0.954 . . . . 0.0 109.04 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.67 -44.43 90.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.127 . . . . 0.0 109.437 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.11 -49.19 78.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.367 -0.833 . . . . 0.0 109.258 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.575 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 34.5 t-20 -60.22 -46.55 89.36 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.462 -0.773 . . . . 0.0 109.373 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.21 -43.89 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.438 -0.789 . . . . 0.0 109.789 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 22.9 p -60.86 -42.46 97.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.901 -1.124 . . . . 0.0 109.658 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.44 90.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.731 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.482 HD11 ' HE ' ' A' ' 23' ' ' ARG . 94.7 mt -62.6 -42.23 99.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.246 -0.909 . . . . 0.0 109.226 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.408 HD23 HD11 ' B' ' 18' ' ' LEU . 84.7 mt -60.22 -49.2 78.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.271 -0.893 . . . . 0.0 109.162 179.414 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -45.62 92.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -64.52 -39.98 94.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.0 109.205 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.47 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.238 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.31 -50.0 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.213 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.05 -42.01 98.74 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.296 -0.877 . . . . 0.0 109.305 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.05 -49.39 77.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 108.603 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.21 -41.75 97.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -62.4 -42.01 99.11 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.012 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -62.73 -45.79 91.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.218 -0.926 . . . . 0.0 109.082 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 50.4 ttp . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.282 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.63 -40.28 95.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.359 -0.838 . . . . 0.0 109.456 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.25 -42.8 96.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' C' ' 5' ' ' THR . 62.6 tp -64.26 -40.42 95.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.925 -1.11 . . . . 0.0 108.861 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.03 -39.71 93.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 109.743 179.462 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.56 93.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.835 -1.166 . . . . 0.0 109.114 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.98 80.67 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 179.12 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -48.87 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.46 -1.023 . . . . 0.0 109.495 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.27 -43.57 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.793 -1.192 . . . . 0.0 108.918 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -60.26 -40.01 88.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.037 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -41.51 92.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.09 -42.14 94.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.912 -1.118 . . . . 0.0 109.598 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.01 -43.33 95.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.452 -0.78 . . . . 0.0 109.168 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -61.38 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.333 -0.854 . . . . 0.0 109.641 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.76 -41.61 99.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.836 . . . . 0.0 109.183 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.405 HD11 HD23 ' C' ' 104' ' ' LEU . 60.4 tp -61.33 -40.78 95.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.246 -0.909 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.27 -48.51 81.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.909 . . . . 0.0 109.667 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.2 -40.78 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.117 -0.989 . . . . 0.0 109.593 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.36 -45.11 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.0 109.28 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.06 -41.28 92.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.58 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 43.5 mtt-85 -62.27 -39.91 94.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.555 -0.716 . . . . 0.0 109.622 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.206 -0.934 . . . . 0.0 109.3 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.68 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.522 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.34 -40.7 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.077 -1.015 . . . . 0.0 109.453 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.22 -40.22 93.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.421 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.2 -39.95 88.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.0 109.031 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.52 -40.19 90.57 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.995 -1.066 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.402 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.6 mt -60.78 -42.42 97.51 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 80.9 p -62.5 -40.08 95.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.303 -0.873 . . . . 0.0 109.422 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.34 -39.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -60.01 -43.25 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.446 -0.784 . . . . 0.0 110.314 -179.589 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.74 89.53 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.858 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -60.05 -49.93 75.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.973 -1.31 . . . . 0.0 109.856 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.09 -40.04 96.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.289 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.602 HD21 ' NH2' ' C' ' 41' ' ' ARG . 45.5 t-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.106 -0.996 . . . . 0.0 109.627 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 38' ' ' LEU . 88.8 mt -60.51 -39.7 88.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 179.176 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -59.58 -40.51 87.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.058 -1.026 . . . . 0.0 109.144 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -60.02 -40.4 89.16 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.602 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -64.46 -40.11 95.09 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.8 -40.91 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 51.4 p -60.22 -40.0 88.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.921 -1.112 . . . . 0.0 109.221 -179.359 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.3 94.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 108.893 179.05 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.24 -39.64 81.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.639 -0.663 . . . . 0.0 109.703 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -40.37 88.86 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.132 -0.98 . . . . 0.0 108.956 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.6 -41.75 95.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 60.0 m-85 -69.74 -38.11 76.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.174 -0.954 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.83 -40.05 87.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.969 -1.082 . . . . 0.0 108.253 179.109 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -60.1 -40.19 88.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.684 -1.26 . . . . 0.0 108.155 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.28 -39.66 87.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 109.007 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 5.1 tm0? -59.18 -39.91 84.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 108.871 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.479 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -60.43 -35.57 76.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 109.199 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 C--N 1.302 -1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 109.049 -178.835 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 51.4 t30 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 121.562 0.696 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.19 34.11 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -80.92 109.74 15.78 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.161 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.86 136.28 36.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.495 0.664 . . . . 0.0 109.429 -178.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.605 HG23 ' O ' ' C' ' 78' ' ' THR . 8.6 t -87.18 116.09 64.92 Favored Pre-proline 0 N--CA 1.49 1.545 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 79' ' ' PRO . . . . . 0.461 ' O ' ' ND2' ' C' ' 83' ' ' ASN . 20.7 Cg_endo -93.5 -47.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.595 1.53 . . . . 0.0 114.202 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -122.07 -44.73 2.28 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.1 p90 -59.85 -49.72 76.6 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.494 -1.379 . . . . 0.0 112.566 -175.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.7 t30 -71.73 -40.26 69.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 119.975 -1.703 . . . . 0.0 110.125 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 83' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' C' ' 79' ' ' PRO . 91.7 m-20 -60.32 -49.99 75.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 0.0 110.527 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.25 -46.48 89.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.732 -1.23 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 48.1 p -69.41 -39.93 77.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -67.03 -40.16 87.16 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.001 -1.062 . . . . 0.0 109.045 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.97 -42.03 93.23 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.916 -1.115 . . . . 0.0 108.428 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.53 -40.33 91.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.012 -1.055 . . . . 0.0 108.626 179.243 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.454 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.9 t90 -59.98 -49.79 76.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 108.959 179.309 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.91 -41.26 99.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.937 . . . . 0.0 109.95 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 91' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' C' ' 91' ' ' ARG . 50.7 mtt-85 -62.57 -41.54 99.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.018 . . . . 0.0 110.196 -179.761 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.791 -1.193 . . . . 0.0 109.222 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.93 -40.47 87.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.259 -0.901 . . . . 0.0 109.144 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.11 -44.22 95.02 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.337 -0.852 . . . . 0.0 110.666 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.18 -40.27 86.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.689 -1.257 . . . . 0.0 109.535 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.38 -41.13 96.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.235 -0.916 . . . . 0.0 109.528 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.85 -44.13 90.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.092 . . . . 0.0 109.293 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.38 -49.13 78.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.347 -0.846 . . . . 0.0 109.198 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 34.6 t-20 -60.07 -47.1 87.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.454 -0.779 . . . . 0.0 109.222 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.01 -44.05 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.812 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 23.2 p -60.83 -42.58 97.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.963 -1.086 . . . . 0.0 109.765 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.72 89.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.456 HD11 ' HE ' ' B' ' 23' ' ' ARG . 94.6 mt -62.05 -42.69 99.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.232 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.405 HD23 HD11 ' C' ' 18' ' ' LEU . 85.4 mt -59.98 -48.75 80.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -0.901 . . . . 0.0 109.082 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.93 -46.53 89.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.498 -0.751 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.03 -40.02 95.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.446 -0.784 . . . . 0.0 109.327 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.91 99.45 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 0.0 109.508 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.62 -49.22 78.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.125 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.26 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.296 -0.877 . . . . 0.0 109.255 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.98 -41.88 98.51 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.272 -0.893 . . . . 0.0 109.29 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -60.0 -49.3 78.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.86 . . . . 0.0 108.918 179.458 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.44 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -61.88 -42.62 99.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.35 -0.843 . . . . 0.0 109.061 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.54 -45.42 93.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 50.9 ttp . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.34 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.49 -40.03 94.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.364 -0.835 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.1 t -60.0 -41.59 92.4 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.018 -1.051 . . . . 0.0 109.102 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 5' ' ' THR . 61.3 tp -60.76 -43.36 98.1 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.064 -1.022 . . . . 0.0 108.445 179.359 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.49 -40.05 93.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -0.785 . . . . 0.0 109.718 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.067 -1.02 . . . . 0.0 108.692 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.54 61.26 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -49.18 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.425 -1.044 . . . . 0.0 109.351 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.93 -46.12 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.139 -0.975 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.476 -0.765 . . . . 0.0 109.418 178.569 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -60.01 -42.53 94.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.457 -0.777 . . . . 0.0 109.241 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.14 -40.93 91.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.992 -1.068 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.288 -0.882 . . . . 0.0 109.442 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.2 mt-30 -65.34 -40.19 93.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.154 -0.966 . . . . 0.0 109.534 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.26 -40.09 93.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.0 108.996 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.97 -44.76 94.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.491 -0.756 . . . . 0.0 109.383 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.07 -46.7 88.68 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.225 -0.922 . . . . 0.0 110.248 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.416 -179.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -44.89 95.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.046 -1.034 . . . . 0.0 108.806 -179.7 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.01 -40.03 91.98 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.329 -0.857 . . . . 0.0 109.43 179.174 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' NE ' ' OD1' ' B' ' 99' ' ' ASN . 31.5 mmt180 -60.0 -40.22 88.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.68 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.35 -40.03 89.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 108.946 179.322 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -59.97 -48.02 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 108.922 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.6 -44.59 96.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.48 -40.04 89.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.32 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.03 -39.98 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.35 -0.844 . . . . 0.0 109.407 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 57.8 mtt-85 -60.06 -40.59 89.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.986 -1.071 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.538 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.3 mt -62.87 -40.6 98.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -65.24 -39.99 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.441 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.566 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 71.6 t -60.76 -40.8 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.435 -0.791 . . . . 0.0 109.366 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.01 -43.09 95.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.51 -46.77 92.71 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.08 -49.68 76.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.018 -1.284 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.1 mttp -61.81 -39.92 93.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.969 -1.082 . . . . 0.0 110.051 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -60.04 -40.56 89.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.247 -0.908 . . . . 0.0 109.573 -179.493 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.54 -39.99 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.143 -0.973 . . . . 0.0 109.578 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.119 -0.988 . . . . 0.0 109.956 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.3 p -60.06 -41.19 91.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.975 -1.078 . . . . 0.0 108.563 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.503 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 29.9 mtt-85 -63.15 -40.03 96.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -40.92 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.817 . . . . 0.0 109.3 179.559 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -60.11 -39.98 88.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.124 -0.985 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.34 82.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.944 -1.098 . . . . 0.0 109.272 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.12 -45.12 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.473 -0.767 . . . . 0.0 110.944 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.23 -39.33 89.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.296 . . . . 0.0 109.978 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.159 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.0 m-85 -69.45 -39.21 77.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.049 -1.032 . . . . 0.0 109.442 178.857 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD2' HE22 ' C' ' 52' ' ' GLN . 64.5 mt -60.05 -39.93 87.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.933 -1.104 . . . . 0.0 108.874 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.02 -39.98 87.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 108.752 179.01 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.753 -1.217 . . . . 0.0 108.722 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' B' ' 52' ' ' GLN . 45.5 mt-30 -63.99 -37.3 86.92 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.585 179.137 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -32.88 55.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.824 -1.172 . . . . 0.0 108.064 179.067 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.344 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 121.557 0.694 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.06 124.67 34.98 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.432 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.6 p -81.11 107.54 14.0 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.8 135.69 37.15 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.663 0.744 . . . . 0.0 109.882 -178.063 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 78' ' ' THR . 7.7 t -91.01 113.89 59.67 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.725 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -90.81 -48.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.097 0 C-N-CA 121.687 1.591 . . . . 0.0 114.222 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.64 -43.68 2.37 Favored 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.98 -48.44 81.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.352 -1.467 . . . . 0.0 112.358 -175.615 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.7 t30 -72.17 -43.27 64.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.214 -1.554 . . . . 0.0 110.366 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.92 -50.07 75.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.974 . . . . 0.0 110.568 -178.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.59 -43.77 97.97 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.054 -1.029 . . . . 0.0 109.745 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.7 p -70.0 -39.94 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -67.8 -40.07 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.914 -1.116 . . . . 0.0 109.315 -179.241 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.5 ' C ' ' HE ' ' A' ' 91' ' ' ARG . 93.0 mt-30 -59.92 -41.26 91.36 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.615 -1.303 . . . . 0.0 108.399 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.502 ' N ' HH21 ' A' ' 91' ' ' ARG . 88.7 tt0 -62.32 -40.57 96.77 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.131 -0.98 . . . . 0.0 108.475 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 70.1 t90 -60.0 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.518 -0.739 . . . . 0.0 109.072 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.39 -40.59 96.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.198 -0.939 . . . . 0.0 109.54 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.502 HH21 ' N ' ' A' ' 88' ' ' GLU . 87.0 mtm180 -63.63 -41.04 98.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.082 -1.011 . . . . 0.0 110.267 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.59 -42.86 97.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 109.625 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.41 -41.67 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.898 -1.126 . . . . 0.0 109.401 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.91 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.414 -0.804 . . . . 0.0 110.134 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -62.12 -40.13 94.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.995 -1.066 . . . . 0.0 109.99 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.01 -40.82 78.46 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.117 -0.989 . . . . 0.0 109.359 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 54.0 tp10 -60.79 -45.73 93.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 108.836 179.059 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.99 -47.42 85.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 0.0 109.304 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.487 ' OD1' ' NE ' ' C' ' 23' ' ' ARG . 26.8 t-20 -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.178 -0.951 . . . . 0.0 109.121 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -60.08 -43.3 95.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.316 -0.865 . . . . 0.0 108.983 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.62 80.96 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 108.969 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.95 -45.55 92.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.291 -0.881 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.14 -43.2 95.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.165 -0.959 . . . . 0.0 109.138 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.96 -49.91 75.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.173 -0.954 . . . . 0.0 109.031 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -61.0 -41.59 96.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 108.973 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.33 97.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.266 -0.897 . . . . 0.0 109.798 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -59.88 -48.69 80.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.63 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.362 179.577 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 63.2 tt0 -62.64 -40.05 95.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.328 -0.857 . . . . 0.0 109.518 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -59.94 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.215 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -45.64 92.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.146 -0.971 . . . . 0.0 109.055 179.718 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.03 -45.38 92.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.24 -44.52 97.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.08 -1.012 . . . . 0.0 109.178 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.303 -1.446 0 O-C-N 121.239 -0.913 . . . . 0.0 108.709 179.437 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.71 -39.96 94.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 0.0 109.002 179.55 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.5 t -60.05 -41.46 92.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.2 -0.938 . . . . 0.0 109.075 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.526 ' N ' HG23 ' B' ' 5' ' ' THR . 61.8 tp -60.79 -43.71 97.76 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.436 -0.79 . . . . 0.0 109.659 179.434 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.07 87.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.005 -1.059 . . . . 0.0 108.719 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.58 61.45 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -49.11 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.07 -46.13 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.402 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.488 -0.757 . . . . 0.0 109.383 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -60.04 -42.19 93.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.18 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.71 -40.45 92.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.053 -1.03 . . . . 0.0 109.12 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.21 -40.74 91.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.915 . . . . 0.0 109.493 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 28.3 mt-30 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.504 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.42 -40.0 92.81 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.141 -0.975 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.11 -44.73 94.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.567 -0.708 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.08 -46.83 88.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.118 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.96 -40.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -44.72 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.086 -1.009 . . . . 0.0 108.733 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.16 -39.98 92.15 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.49 -0.756 . . . . 0.0 109.444 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.455 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 31.8 mmt180 -60.09 -40.5 89.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.864 . . . . 0.0 109.429 -179.705 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 108.924 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -59.99 -48.07 83.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.227 -0.921 . . . . 0.0 108.831 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -44.21 97.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.131 -0.98 . . . . 0.0 109.58 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.89 -40.05 91.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.296 -0.877 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.97 -40.04 87.71 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.367 -0.833 . . . . 0.0 109.231 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.462 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 58.1 mtt-85 -59.93 -40.41 88.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.903 -1.123 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.516 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.0 mt -62.98 -40.92 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.003 -1.06 . . . . 0.0 109.562 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.8 p -65.13 -39.97 93.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.052 -1.03 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.552 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 71.0 t -60.58 -40.84 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -60.01 -43.19 95.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.448 -0.782 . . . . 0.0 110.318 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.67 -46.67 93.02 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -1.232 . . . . 0.0 109.983 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.552 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.1 mttp -61.47 -39.97 92.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.867 -1.146 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.51 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.4 OUTLIER -60.05 -40.73 90.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 109.448 -179.282 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.26 -39.95 92.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.09 -1.006 . . . . 0.0 109.559 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.24 -40.96 92.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.216 -0.928 . . . . 0.0 109.963 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 72.7 p -60.4 -40.59 91.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.088 -1.008 . . . . 0.0 108.594 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 31.1 mtt-85 -63.74 -40.06 95.8 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.2 -40.42 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 0.0 109.267 179.538 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.2 p -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.961 -1.087 . . . . 0.0 109.28 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -41.6 83.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.903 -1.123 . . . . 0.0 109.317 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.96 -45.96 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.81 -179.233 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -39.62 87.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.621 -1.3 . . . . 0.0 110.113 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.521 -1.362 . . . . 0.0 109.01 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.5 m-85 -69.47 -39.05 77.95 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.957 -1.089 . . . . 0.0 109.596 178.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.942 -1.099 . . . . 0.0 108.841 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.149 -0.969 . . . . 0.0 108.765 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.774 -1.204 . . . . 0.0 108.653 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' A' ' 52' ' ' GLN . 45.2 mt-30 -63.59 -37.94 89.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.037 -1.039 . . . . 0.0 109.623 178.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.6 -32.92 53.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.865 -1.147 . . . . 0.0 108.066 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.052 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.59 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.562 0.696 . . . . 0.0 109.128 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.34 124.94 35.33 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.475 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -81.41 107.58 14.3 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.96 135.66 37.0 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.798 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.585 HG23 ' O ' ' B' ' 78' ' ' THR . 7.6 t -91.17 114.1 60.5 Favored Pre-proline 0 N--CA 1.491 1.613 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -91.19 -48.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.712 1.608 . . . . 0.0 114.179 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.75 -43.96 2.34 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.99 -48.36 82.03 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.422 -1.424 . . . . 0.0 112.422 -175.477 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.634 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.96 -43.62 64.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.215 -1.553 . . . . 0.0 110.425 -179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.98 -49.94 75.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.123 -0.986 . . . . 0.0 110.393 -178.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.7 -43.43 98.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.051 -1.031 . . . . 0.0 109.629 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 51.4 p -70.04 -40.01 75.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.123 -0.986 . . . . 0.0 110.215 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -67.75 -39.98 84.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.879 -1.138 . . . . 0.0 109.53 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 87' ' ' GLN . . . . . 0.506 ' C ' ' HE ' ' B' ' 91' ' ' ARG . 93.1 mt-30 -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.554 -1.342 . . . . 0.0 108.358 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.51 ' N ' HH21 ' B' ' 91' ' ' ARG . 88.6 tt0 -62.3 -40.53 96.6 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 108.496 178.517 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -59.95 -49.91 75.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.475 -0.765 . . . . 0.0 109.056 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.4 -39.96 94.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.51 HH21 ' N ' ' B' ' 88' ' ' GLU . 87.1 mtm180 -64.51 -40.79 96.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 110.1 -179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.87 -42.24 97.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.892 -1.13 . . . . 0.0 109.578 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.95 -47.93 83.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.463 -0.773 . . . . 0.0 110.183 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.41 -40.0 95.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.909 -179.32 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.27 -40.46 77.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.186 -0.946 . . . . 0.0 109.255 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.462 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 53.6 tp10 -61.08 -45.59 94.11 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 108.837 179.09 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.96 87.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.32 -0.863 . . . . 0.0 109.557 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.501 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 26.8 t-20 -60.26 -45.39 93.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 109.436 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.97 -46.92 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.117 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -59.98 -43.49 95.1 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.335 -0.853 . . . . 0.0 109.084 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.34 82.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.424 -0.797 . . . . 0.0 109.11 179.363 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -45.68 92.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.447 -0.783 . . . . 0.0 109.115 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.08 -43.26 95.61 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.266 -0.896 . . . . 0.0 109.072 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.02 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 108.934 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -60.69 -41.41 95.11 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.052 -1.03 . . . . 0.0 109.319 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.99 97.75 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 109.655 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -49.02 79.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.091 -1.006 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 95.3 mt -60.03 -50.07 81.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.143 -0.973 . . . . 0.0 109.227 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 63.2 tt0 -62.37 -40.04 95.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.32 -0.863 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -59.93 -49.39 77.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.91 . . . . 0.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.07 -45.54 92.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.011 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.05 -45.32 93.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.841 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.55 -44.52 96.88 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.076 -1.015 . . . . 0.0 109.126 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.305 -1.348 0 O-C-N 121.341 -0.849 . . . . 0.0 108.774 179.399 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.4 0.619 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.63 -40.03 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.378 -0.826 . . . . 0.0 109.196 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.519 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.0 t -59.92 -41.76 92.43 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.117 -0.99 . . . . 0.0 109.146 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.519 ' N ' HG23 ' C' ' 5' ' ' THR . 61.8 tp -60.76 -43.38 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.149 -0.969 . . . . 0.0 108.418 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.43 -39.96 92.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.449 -0.782 . . . . 0.0 109.614 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.1 87.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 108.745 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.95 -46.33 59.93 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -49.04 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.321 -1.105 . . . . 0.0 109.274 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.03 -46.19 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -59.96 -42.09 93.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.42 -0.8 . . . . 0.0 109.373 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -60.95 -40.13 92.13 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.083 -1.01 . . . . 0.0 109.016 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.39 -40.59 91.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.325 -0.86 . . . . 0.0 109.495 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.1 mt-30 -65.61 -40.02 92.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 109.66 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.5 -40.04 92.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.166 -0.959 . . . . 0.0 108.983 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.07 -44.66 94.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.613 -0.68 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.01 -47.02 87.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.269 -0.894 . . . . 0.0 110.104 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.94 -40.06 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 0.0 109.523 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.97 -44.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 108.859 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.1 -40.12 92.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.487 ' NE ' ' OD1' ' A' ' 99' ' ' ASN . 31.6 mmt180 -60.07 -40.37 89.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.23 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.13 -39.99 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.994 179.299 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -59.98 -48.06 83.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.249 -0.907 . . . . 0.0 108.989 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.5 -44.3 97.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.613 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.73 -40.1 91.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 109.188 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 0.0 109.245 179.625 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.478 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 58.6 mtt-85 -60.1 -40.05 88.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.115 -0.991 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.0 mt -63.28 -40.5 97.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.007 -1.058 . . . . 0.0 109.74 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -65.26 -40.0 93.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.465 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 32' ' ' VAL . . . . . 0.557 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 71.4 t -60.87 -40.76 86.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.232 -0.917 . . . . 0.0 109.409 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.95 -43.05 95.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.346 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.48 -47.09 91.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.13 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -1.232 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 36' ' ' LYS . . . . . 0.557 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.27 -40.02 92.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.918 -1.114 . . . . 0.0 110.164 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.454 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.5 OUTLIER -59.97 -40.67 89.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 109.489 -179.399 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.27 -39.93 92.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.073 -1.017 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.21 -40.96 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 0.0 110.112 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.49 -40.4 91.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.969 -1.082 . . . . 0.0 108.676 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 30.4 mtt-85 -63.84 -39.86 95.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -41.34 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.457 -0.777 . . . . 0.0 109.147 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 40' ' ' THR . 74.7 p -60.02 -40.01 87.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.054 -1.029 . . . . 0.0 109.212 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.71 83.49 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.84 -1.163 . . . . 0.0 109.312 179.575 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -59.95 -45.48 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 0.0 110.969 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.59 -39.27 87.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.539 -1.351 . . . . 0.0 110.088 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.99 -40.1 88.03 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.71 -1.243 . . . . 0.0 109.111 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.5 m-85 -69.67 -39.16 77.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.077 -1.014 . . . . 0.0 109.449 178.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.11 -39.98 88.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.949 -1.094 . . . . 0.0 108.905 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.9 -40.06 87.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 108.769 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.02 -39.87 87.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.806 -1.183 . . . . 0.0 108.627 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.434 ' OE1' ' OE1' ' A' ' 52' ' ' GLN . 44.8 mt-30 -63.86 -37.83 88.86 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.047 -1.033 . . . . 0.0 109.495 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.47 -32.64 51.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.842 -1.161 . . . . 0.0 108.109 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.117 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 121.562 0.696 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.41 124.6 35.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -81.32 107.45 14.12 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 135.38 36.89 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.724 0.773 . . . . 0.0 109.909 -177.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.59 HG23 ' O ' ' C' ' 78' ' ' THR . 7.8 t -90.47 113.9 59.23 Favored Pre-proline 0 N--CA 1.49 1.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.93 -48.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.523 1.482 . . . . 0.0 114.26 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.71 -43.71 2.36 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -59.95 -48.45 81.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.451 -1.406 . . . . 0.0 112.309 -175.595 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.628 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.6 t30 -72.13 -43.38 64.8 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.144 -1.597 . . . . 0.0 110.347 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 110.463 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.63 -43.73 98.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.684 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 50.0 p -70.04 -40.06 75.37 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.073 -1.017 . . . . 0.0 110.097 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -67.52 -39.99 85.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.833 -1.167 . . . . 0.0 109.465 -179.374 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 87' ' ' GLN . . . . . 0.498 ' C ' ' HE ' ' C' ' 91' ' ' ARG . 92.8 mt-30 -59.99 -41.52 92.21 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.606 -1.308 . . . . 0.0 108.329 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 88' ' ' GLU . . . . . 0.5 ' N ' HH21 ' C' ' 91' ' ' ARG . 88.6 tt0 -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.039 -1.038 . . . . 0.0 108.458 178.65 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.516 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.95 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.45 -40.2 95.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.875 . . . . 0.0 109.624 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 91' ' ' ARG . . . . . 0.5 HH21 ' N ' ' C' ' 88' ' ' GLU . 87.1 mtm180 -64.01 -40.94 97.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.105 -0.997 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -60.57 -42.63 97.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.839 -1.163 . . . . 0.0 109.644 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.81 -41.4 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.419 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -59.87 -48.27 82.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.41 -0.806 . . . . 0.0 110.119 -179.408 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -62.15 -40.34 95.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.053 -1.029 . . . . 0.0 109.848 -179.217 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.96 -40.7 78.72 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.187 -0.945 . . . . 0.0 109.329 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.478 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 53.9 tp10 -60.92 -45.76 93.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.165 -0.959 . . . . 0.0 108.887 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -47.28 86.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.286 -0.883 . . . . 0.0 109.334 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.455 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 26.7 t-20 -59.94 -45.61 92.06 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.008 -1.057 . . . . 0.0 109.435 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.99 -46.7 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 0.0 109.122 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -59.96 -43.5 95.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.186 -0.946 . . . . 0.0 109.157 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.71 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.298 -0.876 . . . . 0.0 109.089 179.324 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.94 -45.69 91.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.58 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.23 -43.14 96.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -0.968 . . . . 0.0 109.12 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.92 -49.64 76.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.226 -0.921 . . . . 0.0 108.96 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.27 -41.47 96.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.933 . . . . 0.0 109.15 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.67 98.39 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.168 -0.957 . . . . 0.0 109.661 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.01 -49.11 78.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.696 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.07 -49.8 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.236 -0.915 . . . . 0.0 109.335 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' B' ' 16' ' ' GLN . 63.2 tt0 -62.56 -40.09 95.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 0.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -59.96 -49.39 77.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -45.74 91.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.04 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.0 -45.46 92.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.722 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.15 -44.53 97.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.958 -1.089 . . . . 0.0 109.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.304 -1.382 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.522 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.432 ' HG2' HH11 ' A' ' 4' ' ' ARG . 58.4 mtt-85 -68.09 -40.02 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.2 -0.937 . . . . 0.0 109.302 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.1 t -60.97 -40.71 94.44 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.283 -0.886 . . . . 0.0 109.175 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 5' ' ' THR . 63.6 tp -60.12 -43.79 95.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.05 -1.031 . . . . 0.0 108.406 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.18 -40.01 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.531 -0.73 . . . . 0.0 109.597 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.65 94.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.015 -1.053 . . . . 0.0 108.2 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.61 -45.4 85.09 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.95 -46.46 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -1.171 . . . . 0.0 109.619 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.98 -42.53 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.114 . . . . 0.0 109.07 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.34 -39.97 89.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.96 -41.95 93.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.93 . . . . 0.0 109.687 -178.88 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.04 -41.8 97.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.97 -1.081 . . . . 0.0 109.196 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -44.05 94.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.362 -0.836 . . . . 0.0 109.193 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.571 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 78.6 mt-30 -61.13 -42.67 98.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.208 -0.933 . . . . 0.0 109.3 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.37 -41.44 98.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.0 109.378 179.539 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD11 HD23 ' A' ' 104' ' ' LEU . 58.5 tp -60.03 -43.33 95.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.478 -0.764 . . . . 0.0 109.014 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 55.1 t0 -59.98 -49.16 78.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.692 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.99 -40.78 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -43.54 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.912 . . . . 0.0 108.95 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.89 -41.58 96.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.781 . . . . 0.0 109.049 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HE ' HD11 ' B' ' 103' ' ' LEU . 58.0 mtt-85 -60.71 -40.09 90.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.653 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.173 -0.954 . . . . 0.0 108.601 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.01 -49.13 78.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.377 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.56 -42.23 98.36 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.994 -1.067 . . . . 0.0 109.499 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.33 -41.14 96.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 109.1 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.45 -0.781 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.1 -41.04 91.66 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.04 -1.038 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -60.98 -41.68 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.2 p -62.9 -40.01 96.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.055 -1.028 . . . . 0.0 109.581 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.25 -40.05 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.419 -0.8 . . . . 0.0 109.449 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.02 -42.25 93.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -0.925 . . . . 0.0 109.746 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.0 96.32 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.2 m -59.92 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.08 -1.247 . . . . 0.0 108.968 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -60.79 -40.05 91.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.055 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.339 -0.85 . . . . 0.0 109.875 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 38' ' ' LEU . 85.3 mt -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.885 -1.135 . . . . 0.0 108.226 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.284 -0.885 . . . . 0.0 109.18 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.05 -43.01 95.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.217 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.61 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.8 mtt-85 -63.25 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.729 -1.232 . . . . 0.0 108.575 178.587 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.34 -42.9 92.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.506 -0.746 . . . . 0.0 109.531 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 p -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.971 -1.081 . . . . 0.0 109.809 -179.482 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.95 98.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.994 -1.066 . . . . 0.0 109.096 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.44 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.49 -0.756 . . . . 0.0 109.238 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.77 -41.57 97.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.125 -0.984 . . . . 0.0 109.392 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.5 m-85 -69.97 -37.88 75.91 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.893 . . . . 0.0 109.081 179.14 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.862 -1.149 . . . . 0.0 108.92 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.58 -40.28 91.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.69 -1.256 . . . . 0.0 108.194 178.572 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 3.8 tm0? -57.81 -40.09 79.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.601 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.06 81.37 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.964 -1.085 . . . . 0.0 108.414 179.171 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.771 -179.685 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 21.2 t-20 . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 121.351 0.596 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.67 124.05 35.52 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.4 p -83.6 103.07 12.63 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.419 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.8 mt -81.07 134.77 35.72 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.361 0.6 . . . . 0.0 109.739 -178.229 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 78' ' ' THR . 13.8 t -94.98 111.41 54.52 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.459 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -93.0 -47.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.809 1.673 . . . . 0.0 114.323 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.47 -45.25 2.32 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.316 -0.865 . . . . 0.0 113.215 -177.151 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.05 -55.26 36.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.299 -1.5 . . . . 0.0 112.185 -176.377 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.71 41.33 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 119.963 -1.711 . . . . 0.0 109.8 -179.557 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.0 -48.06 83.28 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.961 . . . . 0.0 109.455 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.66 -40.69 97.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.156 -0.965 . . . . 0.0 109.67 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 81' ' ' TRP . 72.6 p -68.49 -39.87 81.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.038 -1.038 . . . . 0.0 109.424 179.596 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.521 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 57.9 t-105 -61.4 -40.22 93.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.939 -1.101 . . . . 0.0 109.225 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.02 -40.95 91.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.76 -1.213 . . . . 0.0 108.897 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 -40.12 91.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.021 -1.05 . . . . 0.0 108.987 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 53.6 t90 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 109.359 179.118 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.92 -40.05 96.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.413 -0.804 . . . . 0.0 109.26 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 91' ' ' ARG . 19.7 mmm-85 -60.14 -42.73 95.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.358 -0.839 . . . . 0.0 109.842 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.15 -42.6 95.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.935 -1.103 . . . . 0.0 109.383 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.57 -40.56 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.269 -0.895 . . . . 0.0 109.192 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.91 -46.55 88.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -61.41 -43.25 99.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.975 -1.078 . . . . 0.0 109.946 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.87 -40.99 88.01 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.059 -1.026 . . . . 0.0 109.096 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 101' ' ' THR . 41.5 tt0 -60.11 -47.0 87.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.261 -0.899 . . . . 0.0 109.0 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.0 -42.35 94.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.284 -0.885 . . . . 0.0 109.286 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.88 -40.02 91.22 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.233 -0.917 . . . . 0.0 109.665 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.76 -42.97 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 0.0 109.106 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 97' ' ' GLU . 47.3 p -61.16 -43.87 98.2 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.931 . . . . 0.0 109.684 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.455 HD11 ' HE ' ' C' ' 23' ' ' ARG . 96.0 mt -61.65 -42.49 98.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.91 . . . . 0.0 109.426 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.412 HD23 HD11 ' A' ' 18' ' ' LEU . 83.6 mt -60.23 -44.7 94.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 0.0 109.233 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 -48.87 79.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.182 -0.948 . . . . 0.0 108.855 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.19 -41.97 97.75 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.57 92.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.197 -0.939 . . . . 0.0 109.513 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.98 -49.72 76.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.19 -0.944 . . . . 0.0 109.451 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.405 -0.809 . . . . 0.0 109.282 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.57 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 64.0 tt0 -61.45 -40.34 94.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -59.93 -50.01 75.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.465 -0.772 . . . . 0.0 109.532 -179.579 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.96 -45.96 90.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.588 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.2 -41.35 92.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 0.0 109.903 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.99 -49.71 76.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.033 -1.042 . . . . 0.0 109.608 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 0.0 108.692 179.726 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' B' ' 4' ' ' ARG . 56.8 mtt-85 -67.74 -40.02 84.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.454 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.5 t -61.1 -40.79 95.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.18 179.794 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 5' ' ' THR . 63.3 tp -59.97 -43.74 94.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 108.414 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.3 -40.0 88.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.549 -0.72 . . . . 0.0 109.515 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.4 94.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.431 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.63 -45.31 85.78 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.013 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.01 -46.5 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.314 -1.109 . . . . 0.0 109.656 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.03 -42.17 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.955 -1.091 . . . . 0.0 109.046 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 109.746 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.94 -41.67 92.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -178.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -61.12 -41.95 97.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.947 -1.096 . . . . 0.0 109.074 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.94 -43.92 94.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -0.89 . . . . 0.0 109.118 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.31 -42.41 98.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -0.947 . . . . 0.0 109.297 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.69 -41.43 98.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.407 HD11 HD23 ' B' ' 104' ' ' LEU . 58.1 tp -59.95 -43.42 95.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.29 -0.881 . . . . 0.0 109.181 179.305 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.299 -0.876 . . . . 0.0 109.821 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.98 -40.99 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.976 -1.077 . . . . 0.0 109.397 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -43.74 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.211 -0.931 . . . . 0.0 108.766 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.5 -42.06 95.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.48 -0.762 . . . . 0.0 109.191 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.451 ' HE ' HD11 ' C' ' 103' ' ' LEU . 58.8 mtt-85 -60.5 -39.94 89.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.12 -39.92 87.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.17 -0.956 . . . . 0.0 108.653 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.98 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 109.335 179.32 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.99 -41.88 97.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.115 -0.991 . . . . 0.0 109.37 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.52 -41.13 96.87 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.0 109.017 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.378 -0.826 . . . . 0.0 109.889 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.25 -41.08 92.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 109.287 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.44 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.4 mt -61.08 -41.66 97.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.16 -0.962 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.7 p -62.81 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.066 -1.021 . . . . 0.0 109.545 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.18 -40.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.442 -0.786 . . . . 0.0 109.454 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.97 -42.37 94.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.781 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.55 -44.89 96.41 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -59.96 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.013 -1.286 . . . . 0.0 108.975 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.97 -39.99 91.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.934 179.3 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.454 -0.779 . . . . 0.0 109.925 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.869 -1.144 . . . . 0.0 108.132 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.93 -39.99 87.4 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.404 -0.81 . . . . 0.0 109.292 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -60.03 -42.97 95.55 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.928 -1.107 . . . . 0.0 109.216 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.602 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.1 mtt-85 -63.12 -40.07 96.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.746 -1.221 . . . . 0.0 108.523 178.464 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -42.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.478 -0.764 . . . . 0.0 109.64 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -40.03 88.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.0 -1.062 . . . . 0.0 109.799 -179.467 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.15 98.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.022 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.12 -40.01 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.763 . . . . 0.0 109.234 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.363 -178.827 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.32 -41.47 98.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.115 -0.991 . . . . 0.0 109.091 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -70.06 -37.68 75.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.105 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.03 -40.31 88.9 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.955 -1.091 . . . . 0.0 109.008 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.35 -40.25 90.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.713 -1.242 . . . . 0.0 108.108 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.17 -39.97 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.056 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.466 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 3.8 tm0? -57.81 -39.9 78.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 108.602 -179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.93 82.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.948 -1.095 . . . . 0.0 108.374 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 109.617 -179.714 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 21.1 t-20 . . . . . 0 N--CA 1.502 2.135 0 CA-C-O 121.479 0.657 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.05 123.88 35.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 6.8 p -83.56 103.05 12.58 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 mt -81.21 134.69 35.66 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.296 0.57 . . . . 0.0 109.685 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.654 HG23 ' O ' ' B' ' 78' ' ' THR . 14.0 t -94.91 111.29 53.95 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.57 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -92.96 -47.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.667 1.578 . . . . 0.0 114.293 -179.273 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.52 -45.42 2.31 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.194 -0.941 . . . . 0.0 113.203 -177.158 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -59.96 -55.13 37.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.326 -1.484 . . . . 0.0 112.199 -176.34 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 9.3 t-20 -79.5 -35.46 40.11 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 119.93 -1.731 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.03 -47.95 83.71 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.144 -0.973 . . . . 0.0 109.486 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.78 -40.66 97.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.051 -1.031 . . . . 0.0 109.671 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.5 p -68.48 -39.96 81.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 109.329 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.517 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 57.7 t-105 -61.5 -40.12 93.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.944 -1.098 . . . . 0.0 109.146 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.01 -41.1 91.42 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.882 -1.136 . . . . 0.0 108.848 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.74 -40.14 91.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.126 -0.984 . . . . 0.0 108.958 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.517 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.1 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.375 -0.828 . . . . 0.0 109.312 179.122 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.39 -40.57 96.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.49 -0.757 . . . . 0.0 109.297 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.407 HH11 ' HG3' ' B' ' 91' ' ' ARG . 19.8 mmm-85 -60.07 -42.49 94.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 109.867 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.24 -42.63 95.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.934 -1.104 . . . . 0.0 109.464 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -40.31 88.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.0 109.172 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.04 -46.55 89.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.858 . . . . 0.0 110.057 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -61.37 -43.17 99.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.897 -1.127 . . . . 0.0 109.976 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.85 -41.1 87.9 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.077 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.42 ' O ' HG23 ' B' ' 101' ' ' THR . 41.1 tt0 -60.11 -46.4 89.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.0 109.086 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.7 -42.15 96.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.312 -0.867 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.01 -39.96 90.7 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.271 -0.893 . . . . 0.0 109.68 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.78 -42.77 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 0.0 109.083 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 97' ' ' GLU . 46.8 p -61.59 -43.63 98.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.736 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.456 HD11 ' HE ' ' A' ' 23' ' ' ARG . 96.1 mt -61.76 -41.9 98.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.407 HD23 HD11 ' B' ' 18' ' ' LEU . 83.3 mt -60.67 -44.65 96.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.011 -1.055 . . . . 0.0 109.14 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -49.11 78.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.163 -0.96 . . . . 0.0 108.82 179.616 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.17 -41.58 97.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 109.396 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.37 93.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.26 -0.9 . . . . 0.0 109.522 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -49.94 75.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.256 -0.903 . . . . 0.0 109.386 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.04 -50.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.38 -0.825 . . . . 0.0 109.361 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.571 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 64.1 tt0 -61.29 -40.31 93.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 0.0 109.173 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -59.98 -49.96 75.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.425 -0.797 . . . . 0.0 109.564 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.11 -45.94 91.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -0.88 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.262 -0.899 . . . . 0.0 109.802 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.011 -1.056 . . . . 0.0 109.67 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 0.0 108.821 179.79 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.437 ' HG2' HH11 ' C' ' 4' ' ' ARG . 56.9 mtt-85 -67.81 -39.95 83.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.65 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.449 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.1 t -61.39 -40.43 94.32 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.449 ' N ' HG23 ' C' ' 5' ' ' THR . 63.4 tp -60.25 -43.69 95.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.967 . . . . 0.0 108.41 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.26 -40.01 88.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.668 -0.645 . . . . 0.0 109.65 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.33 94.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.023 -1.048 . . . . 0.0 108.351 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.84 87.67 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.124 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.334 -1.098 . . . . 0.0 109.753 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.09 -42.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.42 -39.94 89.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 179.095 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -41.81 93.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.0 109.8 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -61.1 -41.77 97.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.915 -1.116 . . . . 0.0 109.13 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -43.78 95.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.218 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.57 ' NE2' ' OE1' ' A' ' 110' ' ' GLN . 78.6 mt-30 -61.48 -42.35 98.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.914 . . . . 0.0 109.257 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -41.23 97.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -0.867 . . . . 0.0 109.183 179.36 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.422 HD11 HD23 ' C' ' 104' ' ' LEU . 58.0 tp -60.04 -43.48 95.31 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.24 -0.912 . . . . 0.0 109.056 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.04 -48.8 80.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.263 -0.898 . . . . 0.0 109.749 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.05 -40.76 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.004 -1.06 . . . . 0.0 109.413 -179.764 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -43.38 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.231 -0.918 . . . . 0.0 108.991 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.35 -41.07 96.45 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.543 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.455 ' HE ' HD11 ' A' ' 103' ' ' LEU . 57.8 mtt-85 -61.28 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.457 -0.777 . . . . 0.0 109.587 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.03 -40.05 87.98 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.523 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 0.0 109.376 179.444 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.83 -42.05 97.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 0.0 109.37 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.48 -41.2 96.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.473 -0.767 . . . . 0.0 108.99 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.05 -40.32 89.03 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.28 -40.28 89.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -61.69 -41.55 97.74 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -62.85 -39.98 96.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 109.58 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.28 -39.98 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.437 -0.789 . . . . 0.0 109.399 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.01 -42.36 94.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.837 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.91 96.31 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.896 -1.355 . . . . 0.0 109.052 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.9 -39.87 90.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.013 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -60.09 -40.03 88.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 109.829 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.96 -39.9 87.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.937 -1.102 . . . . 0.0 108.202 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.128 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 49.7 p -60.11 -43.05 95.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.872 -1.143 . . . . 0.0 109.039 -179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.601 HH22 ' CG ' ' A' ' 82' ' ' ASN . 46.3 mtt-85 -63.2 -40.09 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.441 178.694 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.41 -42.85 92.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.436 -0.79 . . . . 0.0 109.618 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.979 -1.076 . . . . 0.0 109.837 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.03 98.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.009 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.35 -39.85 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.524 -0.735 . . . . 0.0 109.256 179.195 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -40.73 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.967 . . . . 0.0 109.275 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.52 -41.69 97.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.097 -1.002 . . . . 0.0 109.293 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -69.97 -37.71 75.87 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 109.235 179.181 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.08 -40.32 89.13 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.91 -1.119 . . . . 0.0 108.836 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.28 -40.53 90.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.654 -1.279 . . . . 0.0 108.148 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.09 -39.98 87.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.539 -0.726 . . . . 0.0 109.066 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.478 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 3.7 tm0? -57.81 -39.87 78.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.126 -0.984 . . . . 0.0 108.464 -179.776 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.12 82.66 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.984 -1.073 . . . . 0.0 108.428 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.878 . . . . 0.0 109.786 -179.72 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 21.4 t-20 . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 121.451 0.643 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 123.93 35.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.233 -179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 6.5 p -83.77 102.9 12.63 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.91 134.73 35.78 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.407 0.622 . . . . 0.0 109.694 -178.206 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.669 HG23 ' O ' ' C' ' 78' ' ' THR . 14.1 t -95.1 111.36 54.51 Favored Pre-proline 0 N--CA 1.492 1.636 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -93.02 -47.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.014 0 C-N-CA 121.673 1.582 . . . . 0.0 114.243 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.19 -45.59 2.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.299 -0.876 . . . . 0.0 113.273 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.3 p90 -60.02 -55.12 37.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.174 -1.578 . . . . 0.0 112.278 -176.374 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.72 41.3 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 119.916 -1.74 . . . . 0.0 109.709 -179.611 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.04 -47.85 84.15 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.126 -0.984 . . . . 0.0 109.357 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.96 -40.58 98.11 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.067 -1.021 . . . . 0.0 109.696 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.452 HG23 ' O ' ' C' ' 81' ' ' TRP . 72.3 p -68.45 -39.92 81.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.95 -1.094 . . . . 0.0 109.377 179.491 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.522 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 58.2 t-105 -61.42 -40.25 93.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 109.086 -179.679 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.02 -40.96 91.1 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.831 -1.168 . . . . 0.0 108.944 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.78 -40.08 91.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.105 -0.997 . . . . 0.0 108.879 179.475 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.522 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 53.0 t90 -60.04 -49.96 75.62 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.249 -0.907 . . . . 0.0 109.38 179.159 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.67 -40.11 96.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.469 -0.769 . . . . 0.0 109.226 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 91' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' C' ' 91' ' ' ARG . 19.4 mmm-85 -60.24 -42.6 95.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.285 -0.885 . . . . 0.0 109.885 -179.816 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.19 -42.72 95.68 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.968 -1.082 . . . . 0.0 109.48 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.42 -40.38 87.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.12 -0.987 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.92 -46.38 89.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.197 -0.939 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -61.85 -43.1 99.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.937 -1.102 . . . . 0.0 109.857 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.82 -41.06 88.11 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.071 -1.018 . . . . 0.0 109.015 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.418 ' O ' HG23 ' C' ' 101' ' ' THR . 41.2 tt0 -60.26 -46.51 89.56 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 0.0 109.029 179.521 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.44 -42.49 96.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.337 -0.852 . . . . 0.0 109.181 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -65.48 -40.42 93.1 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.227 -0.921 . . . . 0.0 109.749 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.71 -42.23 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 109.197 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 97' ' ' GLU . 46.3 p -62.01 -43.54 98.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.153 -0.967 . . . . 0.0 109.568 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.48 77.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.451 HD11 ' HE ' ' B' ' 23' ' ' ARG . 96.1 mt -61.48 -42.38 98.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 109.511 -179.758 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.422 HD23 HD11 ' C' ' 18' ' ' LEU . 83.4 mt -60.41 -44.5 95.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.007 -1.058 . . . . 0.0 109.128 179.343 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -48.95 79.6 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.181 -0.95 . . . . 0.0 108.908 179.666 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.2 -42.09 97.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.295 -0.878 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.5 92.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.02 -49.84 76.1 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.209 -0.932 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.11 -49.93 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.285 -0.884 . . . . 0.0 109.507 179.536 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.45 -40.19 93.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.477 -179.724 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -46.12 90.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.221 -0.924 . . . . 0.0 109.537 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.23 -41.28 92.76 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 109.735 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -60.99 -49.8 75.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.975 -1.078 . . . . 0.0 109.531 179.681 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 108.835 179.799 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -63.51 -39.77 95.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.38 -0.825 . . . . 0.0 109.634 179.353 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.6 t -59.6 -43.36 93.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.159 -0.963 . . . . 0.0 108.783 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 5' ' ' THR . 63.4 tp -62.49 -40.95 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.052 -1.03 . . . . 0.0 108.504 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.43 -37.58 80.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.682 -0.636 . . . . 0.0 109.342 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.97 90.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.15 62.49 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.829 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -59.64 -50.07 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.578 -0.954 . . . . 0.0 109.415 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.85 -44.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.119 -0.988 . . . . 0.0 108.691 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.15 -40.32 93.42 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.307 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.73 -41.88 91.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.464 -0.772 . . . . 0.0 109.644 -179.055 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.98 -40.59 93.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 109.539 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -60.09 -46.26 90.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 109.999 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -60.49 -41.28 93.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.564 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.58 -41.71 98.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.042 -1.036 . . . . 0.0 109.001 179.122 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.9 -45.75 91.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.256 -0.902 . . . . 0.0 109.452 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.31 -0.869 . . . . 0.0 109.623 -179.088 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.12 -41.31 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 109.088 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -49.46 83.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.201 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -61.7 -40.29 94.47 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.743 0.783 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.576 ' NH2' HD21 ' B' ' 99' ' ' ASN . 11.4 tpp180 -60.71 -39.44 88.58 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.03 -39.52 86.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.109 -0.995 . . . . 0.0 108.562 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -60.18 -42.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.399 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -67.18 -40.7 86.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.62 -1.3 . . . . 0.0 109.353 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.28 -41.07 92.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.121 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.0 -38.91 84.02 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.51 HH22 ' CD ' ' A' ' 97' ' ' GLU . 49.5 mtt-85 -60.07 -40.89 91.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.93 -1.106 . . . . 0.0 108.846 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 79.8 mt -62.23 -41.63 98.58 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.226 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.9 p -63.51 -39.63 94.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 109.606 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.62 -40.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -59.57 -43.48 93.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -45.12 96.01 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.5 m -60.19 -50.09 75.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -1.142 . . . . 0.0 108.803 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.11 -40.13 92.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 178.697 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -59.56 -40.32 86.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.481 -0.762 . . . . 0.0 109.101 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.51 -39.42 87.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.711 -1.243 . . . . 0.0 108.758 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.36 -39.47 87.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.138 -0.976 . . . . 0.0 109.089 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.5 p -60.34 -43.46 96.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.025 -1.047 . . . . 0.0 108.939 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.547 HH22 ' CG ' ' B' ' 82' ' ' ASN . 55.3 mtt-85 -62.24 -39.99 94.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.743 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.12 -45.08 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.592 -0.693 . . . . 0.0 109.956 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -60.13 -39.8 87.55 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.61 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.53 99.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.97 -1.081 . . . . 0.0 108.449 178.761 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.31 -39.63 81.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.064 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.53 -40.33 91.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.527 -178.226 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.03 -39.99 95.32 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.596 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 62.1 m-85 -69.78 -38.43 76.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.333 -0.854 . . . . 0.0 109.436 179.492 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.449 HD22 HE22 ' C' ' 52' ' ' GLN . 55.3 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 179.648 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.836 -1.165 . . . . 0.0 108.918 179.145 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.22 -39.83 91.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.637 -0.664 . . . . 0.0 109.992 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.436 HE22 HD22 ' B' ' 49' ' ' LEU . 26.0 mt-30 -60.28 -39.82 88.25 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.93 -1.106 . . . . 0.0 109.801 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.77 78.66 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 N--CA 1.487 1.386 0 O-C-N 121.502 -0.749 . . . . 0.0 109.053 179.118 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 1.2 t30 . . . . . 0 N--CA 1.503 2.188 0 CA-C-O 121.396 0.617 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.5 123.27 35.68 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.4 p -83.14 106.07 14.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.2 mt -82.79 134.38 35.12 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.42 0.629 . . . . 0.0 109.409 -178.296 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 78' ' ' THR . 15.2 t -92.33 112.41 55.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.606 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -92.64 -48.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.432 1.421 . . . . 0.0 114.532 -178.424 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.4 -45.35 2.33 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.171 -0.955 . . . . 0.0 113.062 -177.349 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.55 32.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.253 -1.529 . . . . 0.0 112.738 -176.149 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.5 t-20 -76.38 -39.74 52.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 119.976 -1.702 . . . . 0.0 109.749 -179.275 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.12 -45.18 93.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.57 -42.08 95.91 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.001 . . . . 0.0 108.498 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 p -68.7 -39.94 80.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.197 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -61.52 -39.81 92.38 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.79 92.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.013 -1.054 . . . . 0.0 108.668 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -41.83 97.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.917 -1.115 . . . . 0.0 108.561 178.238 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.9 t90 -60.07 -49.45 77.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.921 . . . . 0.0 109.675 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.58 -40.52 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.086 -1.009 . . . . 0.0 109.835 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.89 -40.69 87.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -60.39 -41.07 93.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.806 -1.184 . . . . 0.0 108.677 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.9 -40.46 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.177 -0.952 . . . . 0.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.53 -40.84 96.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.597 -0.69 . . . . 0.0 110.71 -179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.75 -39.97 84.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.713 -1.242 . . . . 0.0 109.001 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.32 -40.26 93.49 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.51 ' CD ' HH22 ' A' ' 29' ' ' ARG . 40.9 tt0 -60.26 -48.77 80.32 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -0.95 . . . . 0.0 109.275 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.0 93.35 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.604 HD21 ' NH2' ' C' ' 23' ' ' ARG . 39.9 t-20 -64.65 -44.92 88.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.1 -41.87 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.139 -0.975 . . . . 0.0 109.34 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 97' ' ' GLU . 41.6 p -60.81 -41.0 94.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 179.57 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.34 77.92 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.15 -0.969 . . . . 0.0 108.866 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD11 HH21 ' C' ' 23' ' ' ARG . 87.3 mt -60.32 -43.1 96.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.443 -0.786 . . . . 0.0 109.601 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.85 -41.27 95.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.215 -0.928 . . . . 0.0 108.785 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.07 -44.56 97.19 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.576 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' A' ' 110' ' ' GLN . 99.4 mt-10 -64.66 -40.07 94.78 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.151 -0.968 . . . . 0.0 109.394 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.39 96.23 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.494 -0.754 . . . . 0.0 109.79 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.83 -45.73 91.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.57 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.88 -49.19 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLU . 1.8 mp0 -67.0 -40.26 87.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.87 -1.144 . . . . 0.0 109.799 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.03 -49.05 79.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.341 -0.849 . . . . 0.0 109.376 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.86 -41.78 97.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 0.0 109.293 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -61.68 -40.51 95.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.06 -1.025 . . . . 0.0 109.576 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.43 -44.87 95.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.053 -1.029 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.175 -0.953 . . . . 0.0 108.617 179.248 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -63.53 -39.65 94.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.486 -0.759 . . . . 0.0 109.683 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.535 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.8 t -59.89 -43.34 94.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.189 -0.944 . . . . 0.0 108.588 -179.545 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.535 ' N ' HG23 ' B' ' 5' ' ' THR . 63.9 tp -62.68 -40.73 98.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 108.494 178.686 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.41 -37.73 80.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.033 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.79 89.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -47.75 62.82 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 178.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.49 -49.6 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.531 -0.982 . . . . 0.0 109.35 179.355 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -43.96 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.081 -1.012 . . . . 0.0 108.59 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.72 -40.92 94.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 108.881 178.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.61 -41.6 90.73 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.629 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.38 -40.21 93.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.113 -0.992 . . . . 0.0 109.789 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -60.35 -46.1 91.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 109.915 -179.46 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.77 -41.71 96.03 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.03 -1.043 . . . . 0.0 109.689 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.09 -41.26 99.37 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.64 -44.92 95.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.328 -0.857 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.49 -47.4 86.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.731 -179.265 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.28 -41.42 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.316 -0.953 . . . . 0.0 109.134 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.69 -49.59 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.368 -0.832 . . . . 0.0 108.901 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.6 -40.11 93.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.458 -0.776 . . . . 0.0 108.991 179.276 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.584 ' NH2' HD21 ' C' ' 99' ' ' ASN . 11.3 tpp180 -60.83 -39.11 87.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 109.037 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.22 -39.32 86.22 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.309 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -59.77 -42.5 93.43 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 109.593 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.77 -40.12 84.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.773 -1.204 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.49 -40.61 91.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.294 -0.878 . . . . 0.0 109.003 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.55 -39.03 86.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.697 -0.627 . . . . 0.0 109.472 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.516 HH22 ' CD ' ' B' ' 97' ' ' GLU . 51.3 mtt-85 -60.14 -40.57 90.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.154 -0.966 . . . . 0.0 108.923 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.7 mt -62.5 -41.25 98.69 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.051 -1.031 . . . . 0.0 109.236 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 54.5 p -63.76 -40.41 96.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.163 -0.961 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.7 -40.18 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 108.914 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.08 -42.91 95.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.523 -0.736 . . . . 0.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.13 96.42 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 109.778 -179.392 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.892 -1.358 . . . . 0.0 109.111 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -40.56 94.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.615 178.762 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -58.91 -40.67 85.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.152 -0.967 . . . . 0.0 109.262 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -40.38 86.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.759 -1.213 . . . . 0.0 108.64 179.351 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.89 -40.35 88.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.237 -0.914 . . . . 0.0 108.977 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -59.67 -44.06 93.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.824 -1.172 . . . . 0.0 109.1 -179.454 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.528 HH22 ' CG ' ' C' ' 82' ' ' ASN . 55.3 mtt-85 -61.68 -40.33 94.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.906 -1.121 . . . . 0.0 108.585 178.474 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.98 -44.64 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.594 -0.691 . . . . 0.0 110.037 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -60.17 -40.36 89.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.707 -1.245 . . . . 0.0 109.546 -179.315 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.84 99.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.016 -1.052 . . . . 0.0 108.544 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.11 -39.93 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.79 -40.56 88.74 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.829 -178.813 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.13 -40.18 95.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.373 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -69.76 -38.42 76.75 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.141 -0.974 . . . . 0.0 109.481 179.312 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.436 HD22 HE22 ' A' ' 52' ' ' GLN . 57.6 mt -59.78 -41.21 90.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.0 109.476 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.76 -40.29 91.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.94 -1.1 . . . . 0.0 108.685 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.15 -40.44 89.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.705 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.448 HE22 HD22 ' C' ' 49' ' ' LEU . 27.1 mt-30 -60.37 -39.65 87.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.743 -1.223 . . . . 0.0 109.553 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.53 78.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.142 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.029 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.562 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 1.2 t30 . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 121.257 0.551 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.58 123.56 36.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 108.834 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -83.34 106.06 14.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.73 134.33 35.14 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.479 0.657 . . . . 0.0 109.334 -178.075 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.643 HG23 ' O ' ' B' ' 78' ' ' THR . 15.3 t -92.25 112.31 54.55 Favored Pre-proline 0 N--CA 1.491 1.621 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -92.74 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.462 1.442 . . . . 0.0 114.631 -178.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -121.72 -45.28 2.29 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.321 -0.862 . . . . 0.0 112.967 -177.122 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -60.31 -55.86 28.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.512 -1.368 . . . . 0.0 112.591 -176.183 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 6.6 t-20 -76.09 -40.01 54.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.943 -1.723 . . . . 0.0 109.766 -179.194 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.96 -45.45 92.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.206 -0.934 . . . . 0.0 109.688 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -42.62 94.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.883 -1.136 . . . . 0.0 108.584 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 61.2 p -68.47 -39.97 81.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.07 179.524 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -61.18 -40.29 93.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.012 -1.055 . . . . 0.0 108.835 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.14 -42.11 89.9 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.316 -0.954 . . . . 0.0 108.792 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -41.77 97.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.981 -1.075 . . . . 0.0 108.735 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.479 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.6 t90 -60.12 -49.77 76.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.685 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.305 -0.872 . . . . 0.0 109.472 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -66.38 -40.35 89.64 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.368 -0.833 . . . . 0.0 110.154 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -60.0 -42.74 94.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.932 -1.105 . . . . 0.0 108.532 179.155 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.51 -40.98 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.281 -0.887 . . . . 0.0 109.027 178.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -61.11 -40.77 95.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.256 -0.903 . . . . 0.0 110.927 -179.238 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -67.82 -40.25 83.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.636 -1.29 . . . . 0.0 108.928 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.68 -40.87 96.15 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.746 . . . . 0.0 109.377 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.516 ' CD ' HH22 ' B' ' 29' ' ' ARG . 40.3 tt0 -60.05 -49.0 79.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.854 . . . . 0.0 109.187 179.621 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.07 -40.39 93.47 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.211 -0.931 . . . . 0.0 109.192 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.576 HD21 ' NH2' ' A' ' 23' ' ' ARG . 39.3 t-20 -64.51 -44.97 89.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.17 -42.11 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.084 -1.01 . . . . 0.0 109.397 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 97' ' ' GLU . 44.8 p -60.75 -40.89 94.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.19 78.5 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.125 -0.984 . . . . 0.0 109.175 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.55 -44.11 96.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 0.0 109.566 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.59 -41.82 98.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.153 -0.967 . . . . 0.0 108.957 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -60.9 -43.76 98.05 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.296 -0.878 . . . . 0.0 109.325 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 110' ' ' GLN . 98.1 mt-10 -64.72 -40.63 95.67 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.042 -1.036 . . . . 0.0 109.032 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.434 -0.791 . . . . 0.0 109.876 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.999 -1.063 . . . . 0.0 109.365 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.99 -49.63 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.769 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 106' ' ' GLU . 1.8 mp0 -67.5 -39.94 85.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.135 -0.978 . . . . 0.0 109.691 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.23 -48.93 79.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.009 -1.057 . . . . 0.0 109.487 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.59 -41.81 98.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.39 -0.819 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -61.01 -40.78 94.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.095 -1.003 . . . . 0.0 109.394 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -60.58 -44.54 96.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.992 -1.068 . . . . 0.0 109.252 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 C--N 1.303 -1.447 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.577 179.31 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.05 -39.44 94.1 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 110.123 179.311 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.54 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.5 -43.43 93.34 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.203 -0.936 . . . . 0.0 108.66 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.54 ' N ' HG23 ' C' ' 5' ' ' THR . 63.9 tp -62.39 -41.04 98.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.949 -1.095 . . . . 0.0 108.399 178.725 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.05 -37.63 81.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.367 -0.833 . . . . 0.0 109.229 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.23 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.64 -47.65 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.93 -50.06 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.524 -0.986 . . . . 0.0 109.394 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.17 -44.29 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.003 -1.061 . . . . 0.0 108.64 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.95 -40.29 92.75 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -59.23 -42.35 90.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 110.045 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -61.08 -40.48 93.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 109.727 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.02 -46.65 88.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.13 -42.29 94.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.536 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.38 -41.63 98.78 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.924 -1.11 . . . . 0.0 109.101 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.58 -45.22 94.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.352 -0.842 . . . . 0.0 109.268 -179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.62 -47.73 84.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.27 -41.05 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.354 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.3 -49.62 83.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.465 -0.772 . . . . 0.0 109.028 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.58 -40.41 94.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.815 -0.754 . . . . 0.0 108.997 179.101 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.604 ' NH2' HD21 ' A' ' 99' ' ' ASN . 11.5 tpp180 -59.5 -40.29 86.57 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.451 -0.78 . . . . 0.0 109.193 179.494 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.78 -39.39 84.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 108.938 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.09 -42.29 94.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.219 -0.925 . . . . 0.0 109.688 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.82 -40.31 83.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.754 -1.217 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 36.7 tp -59.92 -41.25 91.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.453 -0.78 . . . . 0.0 109.21 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.29 -38.62 84.17 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.611 -0.681 . . . . 0.0 109.345 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' C' ' 97' ' ' GLU . 50.2 mtt-85 -60.16 -40.49 90.09 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.117 -0.99 . . . . 0.0 108.884 -179.236 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 81.2 mt -62.5 -40.99 98.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.038 -1.039 . . . . 0.0 109.399 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 50.1 p -63.93 -40.29 96.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.178 -0.951 . . . . 0.0 109.455 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.82 -40.38 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -59.95 -43.56 94.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.19 95.44 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.924 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.3 -49.88 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.806 -1.408 . . . . 0.0 109.103 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.55 -40.15 93.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.45 -0.781 . . . . 0.0 109.458 179.023 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -59.07 -40.89 86.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.471 -0.768 . . . . 0.0 109.118 -179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.67 -40.03 86.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.841 -1.162 . . . . 0.0 108.71 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.23 -40.28 89.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 108.834 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 57.0 p -59.72 -43.72 94.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.953 -1.092 . . . . 0.0 109.063 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.52 HH22 ' CG ' ' A' ' 82' ' ' ASN . 54.1 mtt-85 -62.35 -39.36 92.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.995 -1.065 . . . . 0.0 108.81 178.437 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.94 -44.54 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.607 -0.683 . . . . 0.0 109.739 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -60.01 -40.89 90.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.773 -1.204 . . . . 0.0 109.457 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.63 99.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.976 -1.077 . . . . 0.0 108.78 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.33 -39.54 81.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.89 -40.67 89.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 0.0 109.603 -178.517 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.98 -40.33 96.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.791 -1.193 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.3 m-85 -69.81 -38.03 76.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.0 109.385 179.476 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.448 HD22 HE22 ' B' ' 52' ' ' GLN . 56.0 mt -60.11 -41.09 91.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.617 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.46 -40.34 90.84 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.042 -1.036 . . . . 0.0 108.678 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.49 -40.31 90.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 110.441 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.449 HE22 HD22 ' A' ' 49' ' ' LEU . 26.8 mt-30 -60.21 -39.98 88.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.604 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.06 78.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.096 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 179.296 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 1.1 t30 . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 121.507 0.67 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.23 37.46 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.062 -1.023 . . . . 0.0 108.855 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.4 p -82.77 105.44 13.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.38 134.43 35.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.476 0.655 . . . . 0.0 109.413 -178.425 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.645 HG23 ' O ' ' C' ' 78' ' ' THR . 15.1 t -92.32 112.68 56.41 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -92.84 -48.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.115 0 C-N-CA 121.627 1.551 . . . . 0.0 114.889 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.55 -45.44 2.31 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.146 -0.971 . . . . 0.0 112.985 -177.6 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.679 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -60.14 -55.63 31.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.308 -1.495 . . . . 0.0 112.685 -176.059 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.679 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.7 t-20 -76.13 -39.88 54.04 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 119.966 -1.709 . . . . 0.0 109.837 -179.206 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -60.52 -45.1 95.08 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.457 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.4 -42.78 96.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 108.339 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 56.3 p -67.84 -40.26 83.74 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.376 -0.828 . . . . 0.0 109.296 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.406 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.8 t-105 -61.19 -40.21 93.06 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.207 -0.933 . . . . 0.0 108.957 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.58 -42.41 92.42 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.944 -1.097 . . . . 0.0 108.644 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.29 -42.24 95.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.082 . . . . 0.0 108.496 178.1 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.6 t90 -60.32 -48.92 79.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.06 -1.025 . . . . 0.0 109.648 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.71 -40.79 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.293 -0.879 . . . . 0.0 109.645 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -67.28 -39.67 86.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.588 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.72 -41.98 96.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.017 -1.073 . . . . 0.0 108.505 178.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.19 -40.62 89.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.367 -0.833 . . . . 0.0 108.993 178.619 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -61.11 -40.69 94.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.984 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.35 -40.11 81.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.738 -1.226 . . . . 0.0 108.845 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.4 -40.52 95.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.382 -0.824 . . . . 0.0 109.578 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.506 ' OE1' ' NH1' ' C' ' 29' ' ' ARG . 40.0 tt0 -60.15 -49.44 77.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.026 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.74 -40.47 92.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.25 -0.906 . . . . 0.0 109.179 179.597 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.584 HD21 ' NH2' ' B' ' 23' ' ' ARG . 39.8 t-20 -64.74 -44.21 90.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 110.084 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.15 -41.53 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.129 -0.982 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.438 HG23 ' O ' ' C' ' 97' ' ' GLU . 44.9 p -60.98 -40.62 94.14 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.189 -0.945 . . . . 0.0 108.952 179.422 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.1 78.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.921 . . . . 0.0 109.017 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.462 HD11 HH21 ' B' ' 23' ' ' ARG . 89.0 mt -60.24 -44.01 95.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.545 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.09 -41.6 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.851 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.328 -0.857 . . . . 0.0 109.095 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 106' ' ' GLU . . . . . 0.434 ' O ' ' OE1' ' C' ' 110' ' ' GLN . 98.7 mt-10 -64.77 -40.43 95.25 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.271 -0.893 . . . . 0.0 109.12 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.24 95.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.232 -0.918 . . . . 0.0 109.996 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.06 -46.54 89.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.0 109.373 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.55 -49.79 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.341 -0.849 . . . . 0.0 109.772 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 110' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' C' ' 106' ' ' GLU . 2.0 mp0 -66.81 -40.24 87.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.093 -1.004 . . . . 0.0 109.792 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.93 -48.51 81.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.314 -0.866 . . . . 0.0 109.474 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.45 -41.35 96.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.296 -0.878 . . . . 0.0 109.34 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -62.24 -39.89 94.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.873 . . . . 0.0 109.543 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.998 -1.064 . . . . 0.0 109.416 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.084 -1.01 . . . . 0.0 108.628 179.302 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 4' ' ' ARG . 55.6 mtt-85 -65.38 -39.66 92.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.397 -0.815 . . . . 0.0 109.119 179.071 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 7.5 t -59.91 -42.02 92.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.312 -0.867 . . . . 0.0 109.327 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 64.7 tp -62.24 -41.46 98.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 108.736 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.3 -39.37 86.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.332 -0.855 . . . . 0.0 109.679 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.69 89.18 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.048 -1.033 . . . . 0.0 108.832 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.52 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.46 -48.79 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.453 -1.028 . . . . 0.0 109.584 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.05 -47.04 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.152 -0.968 . . . . 0.0 109.406 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.15 -39.58 86.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.185 -0.947 . . . . 0.0 109.31 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -60.04 -41.57 92.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 0.0 109.465 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.002 -1.061 . . . . 0.0 109.366 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.37 -45.43 93.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.105 -0.997 . . . . 0.0 109.032 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.29 -43.73 96.01 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -0.987 . . . . 0.0 109.781 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.84 -42.59 99.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 179.467 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.74 -41.47 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.845 . . . . 0.0 108.919 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 19' ' ' ASP . 50.9 t0 -60.21 -48.78 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.792 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.34 -40.12 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.0 109.596 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -41.81 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 108.571 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.5 -40.15 95.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.586 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.2 mmt180 -61.11 -40.74 94.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.6 -39.99 90.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.557 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.92 -49.65 76.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.122 -0.986 . . . . 0.0 109.651 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.85 -40.7 98.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.083 . . . . 0.0 109.227 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.56 -40.6 97.35 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.354 -0.842 . . . . 0.0 108.875 179.211 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.86 -39.97 91.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.431 -0.793 . . . . 0.0 109.59 179.628 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.24 -40.22 89.47 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.988 -1.07 . . . . 0.0 109.267 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.7 mt -61.59 -40.04 93.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.377 -0.827 . . . . 0.0 109.56 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -63.32 -40.03 96.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.066 -1.021 . . . . 0.0 109.709 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.66 -40.99 86.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.415 -0.803 . . . . 0.0 109.18 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.03 -41.28 91.89 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 110.04 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -49.94 73.05 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -60.02 -49.0 79.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.071 -1.252 . . . . 0.0 109.867 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.18 -39.87 88.02 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -0.87 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.664 HD21 ' NH2' ' A' ' 41' ' ' ARG . 56.1 t-20 -60.03 -39.91 87.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.267 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.38 -39.96 89.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 0.0 109.508 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.11 -39.94 87.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.066 -1.021 . . . . 0.0 109.303 -179.415 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.7 p -60.1 -40.71 90.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.693 -1.255 . . . . 0.0 108.435 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.664 ' NH2' HD21 ' A' ' 37' ' ' ASN . 26.1 mtt-85 -63.7 -40.29 96.42 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.8 -41.08 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.648 -0.658 . . . . 0.0 109.415 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.1 p -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.909 -1.119 . . . . 0.0 109.618 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.02 78.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.809 -1.182 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.03 -40.02 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.878 . . . . 0.0 111.241 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.06 -38.56 88.62 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.373 -1.454 . . . . 0.0 108.865 179.646 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.76 -49.06 79.21 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.362 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.413 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 36.9 m-85 -61.12 -40.04 92.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.006 -1.059 . . . . 0.0 109.727 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -39.89 87.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.92 -39.11 84.34 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.773 -1.205 . . . . 0.0 108.002 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.72 -39.58 85.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.501 -0.749 . . . . 0.0 109.406 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.587 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 2.2 mp0 -59.83 -39.79 86.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.782 -1.199 . . . . 0.0 108.995 179.195 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.87 76.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.873 -1.142 . . . . 0.0 108.016 179.275 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 108.914 179.152 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.606 ' ND2' ' O ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 121.871 0.843 . . . . 0.0 109.023 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.43 8.34 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.326 -0.859 . . . . 0.0 108.835 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -81.54 108.05 14.8 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.95 134.56 35.73 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.409 0.623 . . . . 0.0 109.35 -178.348 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 78' ' ' THR . 9.6 t -90.85 114.19 60.57 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.45 -46.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.844 1.696 . . . . 0.0 113.815 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 82.9 tttt -121.51 -45.47 2.31 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.265 -0.897 . . . . 0.0 113.354 -176.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.0 p90 -61.45 -45.25 95.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.389 -1.444 . . . . 0.0 113.751 -175.641 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.7 t30 -77.6 -49.18 15.12 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.697 -1.877 . . . . 0.0 111.174 -178.639 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.7 p-10 -60.06 -49.73 76.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.954 -1.091 . . . . 0.0 110.313 -178.452 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.92 -45.0 96.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.74 -1.225 . . . . 0.0 109.597 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 81' ' ' TRP . 64.1 p -68.62 -40.08 80.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.243 -0.91 . . . . 0.0 109.717 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.14 -40.1 93.95 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.053 -1.03 . . . . 0.0 109.503 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.13 -40.04 88.36 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.55 -1.344 . . . . 0.0 108.438 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.783 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.1 t90 -60.03 -48.14 82.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.486 -0.758 . . . . 0.0 109.46 178.889 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.86 -39.99 95.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.093 -1.004 . . . . 0.0 109.378 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -62.21 -42.66 99.5 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.584 -0.698 . . . . 0.0 110.21 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.07 -43.03 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.798 -1.189 . . . . 0.0 109.281 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.92 -42.22 91.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.5 179.54 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -61.17 -40.3 93.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.22 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -68.9 -39.99 79.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.667 -1.27 . . . . 0.0 109.608 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.111 -0.993 . . . . 0.0 108.82 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 101' ' ' THR . 85.7 tt0 -60.51 -48.24 82.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.56 -0.712 . . . . 0.0 109.816 179.688 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.32 -44.28 95.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.407 -179.583 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.596 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.52 -45.0 95.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.14 -42.89 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 109.555 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 97' ' ' GLU . 44.8 p -60.31 -44.39 95.49 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.046 179.801 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.98 -48.72 80.51 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -44.51 94.71 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.6 -42.82 97.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.99 -49.21 78.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.78 -40.94 96.94 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.319 -0.863 . . . . 0.0 109.708 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.2 93.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.224 -0.922 . . . . 0.0 109.617 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.12 -44.09 97.39 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.347 179.511 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.98 -50.06 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.209 -0.932 . . . . 0.0 109.849 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -68.56 -40.25 80.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.733 -1.229 . . . . 0.0 110.046 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.08 -45.59 92.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 109.681 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.42 -40.19 77.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.186 -0.946 . . . . 0.0 109.551 -179.718 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.0 -40.15 90.91 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -0.904 . . . . 0.0 109.942 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -43.91 97.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.127 -0.983 . . . . 0.0 109.981 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.303 -1.414 0 O-C-N 121.164 -0.96 . . . . 0.0 108.909 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' B' ' 4' ' ' ARG . 55.6 mtt-85 -65.42 -39.33 91.99 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.395 -0.816 . . . . 0.0 109.044 179.072 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.506 HG23 ' N ' ' B' ' 6' ' ' LEU . 7.2 t -59.91 -42.08 93.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.295 -0.878 . . . . 0.0 109.281 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.506 ' N ' HG23 ' B' ' 5' ' ' THR . 64.6 tp -62.02 -41.66 98.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 108.795 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.07 -39.64 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.81 88.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.061 -1.024 . . . . 0.0 108.923 -179.215 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.98 80.01 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.15 -49.03 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.42 -1.047 . . . . 0.0 109.407 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.04 -46.96 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.031 -1.043 . . . . 0.0 109.464 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.205 -0.934 . . . . 0.0 109.132 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -59.91 -42.15 93.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.459 -0.775 . . . . 0.0 109.418 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -60.33 -42.14 95.02 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.103 -0.998 . . . . 0.0 109.427 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.18 -44.62 94.92 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.905 . . . . 0.0 109.215 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -61.2 -42.92 99.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.4 -42.58 99.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.047 -1.033 . . . . 0.0 109.228 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.46 -41.84 94.96 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 108.895 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.96 -48.68 80.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.42 -0.8 . . . . 0.0 109.717 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.38 -40.36 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 109.79 -179.505 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -41.61 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 0.0 108.498 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.51 -40.25 96.14 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.578 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.2 mmt180 -61.15 -40.99 95.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -40.09 89.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.513 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.92 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 0.0 109.456 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -41.93 98.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.87 -1.144 . . . . 0.0 109.247 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.7 -40.73 96.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.381 -0.824 . . . . 0.0 108.931 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.57 -39.95 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.319 -0.863 . . . . 0.0 109.663 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.67 -40.03 90.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.968 -1.082 . . . . 0.0 109.334 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.443 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.8 mt -61.8 -40.28 94.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 0.0 109.655 -179.85 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.063 -1.023 . . . . 0.0 109.788 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.62 -40.7 85.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.293 -0.88 . . . . 0.0 109.22 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -60.3 -41.3 93.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 0.0 109.935 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -49.62 76.54 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.14 -49.15 78.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.036 -1.273 . . . . 0.0 109.758 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -59.97 -39.95 87.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.92 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.646 HD21 ' NH2' ' B' ' 41' ' ' ARG . 57.6 t-20 -59.92 -40.17 87.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 109.307 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.505 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.0 -39.9 87.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 -179.222 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -60.29 -40.44 90.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.219 . . . . 0.0 108.368 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.646 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.7 mtt-85 -64.25 -40.05 95.21 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.8 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.55 -41.52 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.568 -0.708 . . . . 0.0 109.391 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.6 p -60.12 -40.04 88.33 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.723 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.89 77.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.784 -1.198 . . . . 0.0 109.219 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.68 -40.34 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.454 -0.779 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.84 -38.61 89.34 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.419 -1.426 . . . . 0.0 108.905 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.12 -48.76 80.38 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.248 -0.907 . . . . 0.0 109.239 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.415 ' O ' ' OE1' ' B' ' 52' ' ' GLN . 37.3 m-85 -61.18 -40.12 92.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 109.674 179.273 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.85 -40.04 87.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -59.91 -39.33 85.06 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.802 -1.186 . . . . 0.0 107.992 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.26 -39.77 83.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.584 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 2.3 mp0 -59.81 -39.62 85.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.723 -1.236 . . . . 0.0 108.935 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.69 76.07 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.883 -1.135 . . . . 0.0 108.147 179.147 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 108.785 179.43 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.622 ' O ' ' ND2' ' B' ' 74' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.937 0.875 . . . . 0.0 108.948 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.42 8.34 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.299 -0.876 . . . . 0.0 108.831 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.73 107.92 14.85 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.22 134.38 35.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.359 0.6 . . . . 0.0 109.386 -178.168 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' B' ' 78' ' ' THR . 9.0 t -90.98 114.12 60.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 0.0 109.185 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -93.13 -46.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.885 1.723 . . . . 0.0 113.884 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 80' ' ' LYS . . . . . 0.437 ' O ' ' OD1' ' B' ' 83' ' ' ASN . 82.8 tttt -121.19 -45.81 2.33 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.156 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.86 -45.61 93.87 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.427 -1.421 . . . . 0.0 113.759 -175.734 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 58.9 t30 -77.33 -49.25 15.36 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 119.808 -1.808 . . . . 0.0 111.263 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 80' ' ' LYS . 18.8 p-10 -59.9 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.86 -1.15 . . . . 0.0 110.346 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.57 -45.09 95.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.729 -1.232 . . . . 0.0 109.818 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.496 HG23 ' O ' ' B' ' 81' ' ' TRP . 64.7 p -68.77 -39.96 79.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.33 -39.92 93.04 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.722 -1.236 . . . . 0.0 108.553 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.42 -40.24 95.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.755 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 63.9 t90 -60.35 -48.56 81.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.508 -0.745 . . . . 0.0 109.308 179.2 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.37 -40.3 96.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.081 -1.012 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.93 -42.68 99.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 0.0 110.183 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.17 -42.43 94.96 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 109.269 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.31 -42.14 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.434 -0.791 . . . . 0.0 109.5 179.401 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.58 -40.15 93.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.322 -0.861 . . . . 0.0 111.174 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -68.8 -40.03 79.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.723 -1.236 . . . . 0.0 109.474 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.18 -40.46 86.58 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.007 -1.058 . . . . 0.0 108.727 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 101' ' ' THR . 85.9 tt0 -60.06 -48.61 81.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.481 -0.762 . . . . 0.0 109.731 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -44.55 94.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.184 -0.947 . . . . 0.0 109.658 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.38 -44.94 95.16 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.172 -0.955 . . . . 0.0 109.636 -179.73 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.13 -42.79 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.661 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 97' ' ' GLU . 43.9 p -60.33 -44.36 95.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.053 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.71 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.393 -0.817 . . . . 0.0 109.399 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.42 -44.58 95.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.749 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.54 -42.65 96.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.048 -1.033 . . . . 0.0 109.594 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.42 -48.79 80.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 -179.767 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.98 -41.01 97.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.5 -0.75 . . . . 0.0 109.904 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.878 . . . . 0.0 109.656 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.13 -43.91 97.79 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.005 -1.06 . . . . 0.0 109.39 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.02 -50.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.354 -0.841 . . . . 0.0 109.672 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.03 -39.99 78.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 110.045 -179.591 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -60.0 -45.47 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 109.714 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.54 -40.21 77.0 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.316 -0.865 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.0 -40.1 90.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 109.937 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.49 -43.97 97.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.064 . . . . 0.0 109.882 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.304 -1.381 0 O-C-N 121.168 -0.957 . . . . 0.0 108.967 179.934 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.312 0.577 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.432 ' HG2' HH11 ' C' ' 4' ' ' ARG . 55.2 mtt-85 -65.59 -39.7 91.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.891 179.134 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.516 HG23 ' N ' ' C' ' 6' ' ' LEU . 7.6 t -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.928 . . . . 0.0 109.278 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.516 ' N ' HG23 ' C' ' 5' ' ' THR . 64.9 tp -61.63 -41.65 97.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 108.815 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.08 -39.59 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 109.809 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.7 88.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.158 -0.964 . . . . 0.0 108.855 -179.425 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.68 -47.07 80.14 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.03 -49.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.408 -1.054 . . . . 0.0 109.463 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.99 -1.069 . . . . 0.0 109.288 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.16 -39.8 87.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.157 -0.965 . . . . 0.0 109.297 178.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.94 -41.19 91.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.401 -179.026 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -61.44 -42.17 98.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.11 -0.994 . . . . 0.0 109.38 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.24 -44.02 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.228 -0.92 . . . . 0.0 109.095 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.94 -41.97 98.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.926 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -41.75 98.8 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.035 -1.041 . . . . 0.0 109.287 179.261 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.13 -41.45 96.75 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.28 -0.887 . . . . 0.0 108.883 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.07 -49.24 78.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 109.692 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.14 -40.15 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.159 -0.963 . . . . 0.0 109.685 -179.382 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -42.03 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.075 -1.015 . . . . 0.0 108.363 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.15 -40.24 95.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.484 -0.76 . . . . 0.0 109.221 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.596 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.92 -41.04 95.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.523 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.23 -40.1 89.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.187 -0.946 . . . . 0.0 109.64 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.05 -49.64 76.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 109.419 -179.629 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.75 -41.01 98.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.46 -40.27 96.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.939 179.312 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.79 -40.21 91.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.336 -0.852 . . . . 0.0 109.506 179.599 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.55 -40.02 90.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.0 mt -61.55 -39.98 93.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 0.0 109.615 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.9 p -63.46 -40.01 95.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.996 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.31 -41.01 85.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -60.34 -40.92 92.38 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.413 -0.804 . . . . 0.0 109.97 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -49.79 74.7 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.09 -48.71 80.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.947 -1.325 . . . . 0.0 109.919 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.21 -40.1 88.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.863 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.665 HD21 ' NH2' ' C' ' 41' ' ' ARG . 56.0 t-20 -59.88 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.308 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.3 -40.01 89.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.067 -1.021 . . . . 0.0 109.5 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.77 -40.34 87.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.041 -1.037 . . . . 0.0 109.13 -179.228 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.6 p -60.08 -40.37 89.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.735 -1.228 . . . . 0.0 108.458 179.299 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.665 ' NH2' HD21 ' C' ' 37' ' ' ASN . 26.5 mtt-85 -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.696 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.55 -41.24 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.647 -0.658 . . . . 0.0 109.41 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 60.5 p -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.946 -1.096 . . . . 0.0 109.56 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.902 -1.124 . . . . 0.0 109.203 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.88 -40.23 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 111.085 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.04 -38.26 87.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.358 -1.464 . . . . 0.0 108.889 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -59.97 -49.06 79.17 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.429 ' O ' ' OE1' ' C' ' 52' ' ' GLN . 37.5 m-85 -61.18 -39.98 92.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 109.653 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.97 -39.93 87.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.143 -0.973 . . . . 0.0 109.58 -179.114 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.794 -1.191 . . . . 0.0 108.039 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -39.69 85.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.0 109.369 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.577 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 2.3 mp0 -59.74 -39.69 85.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.685 -1.259 . . . . 0.0 108.946 179.591 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.87 76.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.937 179.305 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.625 ' ND2' ' O ' ' C' ' 74' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.971 0.891 . . . . 0.0 109.039 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.72 123.53 8.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.344 -0.847 . . . . 0.0 108.915 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -81.77 107.62 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.99 134.56 35.71 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.165 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.592 HG23 ' O ' ' C' ' 78' ' ' THR . 9.4 t -90.71 114.03 59.92 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.388 -0.82 . . . . 0.0 109.225 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -93.33 -46.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.036 0 C-N-CA 121.816 1.677 . . . . 0.0 113.663 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 80' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' C' ' 83' ' ' ASN . 82.7 tttt -121.55 -45.33 2.31 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.035 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -61.47 -45.34 94.67 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.432 -1.417 . . . . 0.0 113.774 -175.585 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.629 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.6 t30 -77.54 -48.85 15.97 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 119.854 -1.778 . . . . 0.0 111.366 -178.579 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 83' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' C' ' 80' ' ' LYS . 18.0 p-10 -60.08 -50.03 75.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.071 . . . . 0.0 110.122 -178.576 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.26 -46.05 91.15 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.772 -1.205 . . . . 0.0 109.838 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 81' ' ' TRP . 64.5 p -67.9 -39.98 83.54 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 109.753 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -65.56 -39.81 92.1 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.492 -179.578 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.05 -40.11 88.28 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.662 -1.274 . . . . 0.0 108.445 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.93 -40.37 97.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.443 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.4 t90 -59.96 -47.72 84.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.495 -0.753 . . . . 0.0 109.465 178.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.134 -0.978 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -62.13 -42.64 99.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.553 -0.717 . . . . 0.0 110.158 -179.089 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.12 -43.01 95.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 0.0 109.272 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.77 -42.42 92.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.382 -0.823 . . . . 0.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.06 -40.39 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.0 111.153 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.808 -1.182 . . . . 0.0 109.592 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.34 -40.2 85.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.147 -0.971 . . . . 0.0 108.85 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.4 ' O ' HG23 ' C' ' 101' ' ' THR . 85.4 tt0 -60.21 -48.67 80.75 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.431 -0.793 . . . . 0.0 109.616 179.547 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.09 -44.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 109.629 -179.461 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.7 t-20 -60.05 -44.79 94.44 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.182 -0.949 . . . . 0.0 109.817 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.45 -42.84 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 109.521 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.4 HG23 ' O ' ' C' ' 97' ' ' GLU . 44.5 p -60.18 -43.93 95.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.154 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.76 79.55 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.369 -0.832 . . . . 0.0 109.42 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.2 -44.65 94.95 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.369 -0.832 . . . . 0.0 109.827 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.48 -42.85 97.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.965 . . . . 0.0 109.565 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.07 -49.0 79.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.97 -40.83 96.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.857 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.54 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 0.0 109.597 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.985 -1.072 . . . . 0.0 109.393 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.36 -50.05 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.21 -0.931 . . . . 0.0 109.688 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.87 -40.1 79.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.912 -1.118 . . . . 0.0 110.124 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.08 -45.52 92.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 109.659 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.62 -40.03 76.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.02 -40.1 90.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.133 -0.979 . . . . 0.0 109.897 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.39 -43.69 98.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.992 -1.067 . . . . 0.0 109.992 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.951 . . . . 0.0 108.9 179.831 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -61.97 -39.97 93.99 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 6' ' ' LEU . 15.2 t -60.35 -42.5 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.282 -0.887 . . . . 0.0 108.88 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 5' ' ' THR . 58.9 tp -60.05 -43.51 95.32 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.42 -39.9 95.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.614 -0.679 . . . . 0.0 109.203 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.04 91.5 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.862 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.88 -44.71 67.25 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.06 -49.95 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.091 . . . . 0.0 109.34 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -59.98 -47.51 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.11 -0.994 . . . . 0.0 109.198 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 109.14 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.01 -43.57 95.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.451 -0.781 . . . . 0.0 109.224 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.4 -41.4 93.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.24 -42.75 95.95 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.257 -0.902 . . . . 0.0 108.967 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -65.1 -40.87 95.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.536 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.17 -44.08 97.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.983 . . . . 0.0 109.035 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.69 -42.58 97.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.329 -0.857 . . . . 0.0 109.118 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.1 t0 -60.05 -47.22 86.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.381 -0.824 . . . . 0.0 109.96 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.0 -40.01 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.033 . . . . 0.0 109.445 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.96 -40.75 83.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.9 -40.56 95.87 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.68 -0.637 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.9 mpt_? -59.98 -42.83 95.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.143 -0.973 . . . . 0.0 108.885 179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.192 -0.943 . . . . 0.0 109.109 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -59.96 -45.57 92.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.372 -0.83 . . . . 0.0 109.666 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.64 -41.41 83.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.552 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.126 -0.983 . . . . 0.0 109.339 179.48 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.94 -40.52 89.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.726 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.0 -39.94 91.63 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.078 -1.014 . . . . 0.0 109.361 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.1 mt -64.5 -40.12 95.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -61.98 -39.95 93.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.013 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.99 -40.0 84.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.299 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -60.07 -47.94 83.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.35 -0.843 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.9 88.74 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.346 -179.081 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -59.96 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.964 -1.315 . . . . 0.0 109.353 -179.266 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -61.35 -39.94 92.44 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.316 -0.865 . . . . 0.0 109.035 179.043 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -60.02 -40.01 87.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.452 -0.78 . . . . 0.0 109.505 -179.323 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.95 -40.03 87.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 108.486 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 109.135 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.5 p -60.02 -41.54 92.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.803 -1.186 . . . . 0.0 108.731 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.601 HH22 ' CG ' ' B' ' 82' ' ' ASN . 49.9 mtt-85 -61.91 -40.1 94.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.026 -1.047 . . . . 0.0 108.378 178.667 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.06 -42.6 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.618 -0.676 . . . . 0.0 110.035 -179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -59.96 -40.08 87.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.886 -1.134 . . . . 0.0 110.115 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.48 98.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.873 -1.142 . . . . 0.0 108.082 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.52 -39.77 82.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.845 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.05 -40.25 88.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.087 -1.008 . . . . 0.0 109.043 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.75 -42.33 99.62 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 109.708 179.631 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.0 m-85 -69.43 -38.07 77.71 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.21 -0.931 . . . . 0.0 109.616 179.747 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' HE22 ' C' ' 52' ' ' GLN . 49.5 mt -59.97 -39.96 87.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.922 -1.111 . . . . 0.0 109.239 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.76 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.926 -1.109 . . . . 0.0 108.708 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.99 -39.96 87.52 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.063 -1.023 . . . . 0.0 109.054 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.433 HE22 ' CD2' ' B' ' 49' ' ' LEU . 37.3 mt-30 -60.7 -39.95 90.42 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.012 -1.055 . . . . 0.0 109.331 179.143 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.23 -32.6 64.6 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.953 -1.092 . . . . 0.0 108.262 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.549 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.143 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 125.82 35.32 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -82.1 108.91 15.94 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.8 mt -82.15 137.1 35.04 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.321 0.581 . . . . 0.0 109.866 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -90.85 112.84 55.62 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.429 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -94.7 -47.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.997 0 C-N-CA 121.624 1.549 . . . . 0.0 114.609 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -119.93 -46.29 2.44 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.215 -0.928 . . . . 0.0 113.025 -176.87 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.7 p90 -59.98 -56.36 22.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.335 -1.478 . . . . 0.0 112.536 -176.286 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.2 OUTLIER -76.17 -38.02 57.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.142 -1.598 . . . . 0.0 109.966 -179.156 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.9 -44.24 94.36 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 -179.187 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.03 -45.87 91.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.983 . . . . 0.0 108.433 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -67.39 -40.08 85.65 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.462 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -62.32 -40.06 95.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.008 . . . . 0.0 109.579 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.29 91.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.639 -1.288 . . . . 0.0 108.312 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.07 -39.99 91.99 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.6 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.434 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 54.8 t90 -60.0 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.452 -0.78 . . . . 0.0 109.144 179.469 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.59 -40.79 97.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.128 -0.982 . . . . 0.0 109.375 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -63.19 -41.91 99.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 110.503 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.06 -43.67 98.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.75 -1.219 . . . . 0.0 109.601 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.14 -40.95 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.044 -1.035 . . . . 0.0 109.545 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.74 -40.07 91.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.135 -0.978 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.71 -40.01 80.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.622 -1.299 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.939 . . . . 0.0 109.64 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.27 -40.33 95.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.047 -1.033 . . . . 0.0 110.274 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.15 -39.98 78.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.03 -1.043 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.84 -40.99 96.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.377 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.918 . . . . 0.0 110.04 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.48 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.111 -0.993 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.34 -40.42 93.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.232 -0.917 . . . . 0.0 109.565 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.56 -40.65 97.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 0.0 109.163 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.98 -48.56 81.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.92 . . . . 0.0 109.242 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.42 -41.43 97.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 109.208 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.09 83.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.0 109.541 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.06 -45.06 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.689 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.35 -45.14 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.984 . . . . 0.0 109.219 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.67 -39.96 76.69 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.404 -0.81 . . . . 0.0 109.991 -179.434 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.06 -50.0 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.062 -1.024 . . . . 0.0 109.778 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.54 -42.53 96.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.22 -42.12 98.05 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.254 -0.904 . . . . 0.0 109.746 -179.486 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -63.48 -44.76 93.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.396 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.5 ttp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.449 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.539 0.685 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.03 -40.03 94.32 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.493 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.4 t -60.35 -42.45 95.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.295 -0.878 . . . . 0.0 108.81 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.493 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -60.01 -43.81 94.99 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.471 -0.768 . . . . 0.0 109.311 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.34 91.98 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -44.82 70.06 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.94 -50.01 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.401 -1.058 . . . . 0.0 109.324 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -47.14 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.007 -1.058 . . . . 0.0 109.217 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.83 -40.01 96.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.959 . . . . 0.0 109.171 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -43.45 95.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.409 -0.807 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.43 -41.46 94.05 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.952 -1.092 . . . . 0.0 109.414 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.198 -0.938 . . . . 0.0 109.109 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -65.45 -40.42 93.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 17' ' ' LEU . 88.7 mt -61.4 -44.18 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 109.148 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.61 -42.64 97.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.473 -0.767 . . . . 0.0 109.131 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.494 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 53.4 t0 -60.02 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.426 -0.797 . . . . 0.0 109.863 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.97 -39.99 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.083 -1.01 . . . . 0.0 109.433 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 108.733 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.8 -40.2 94.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.6 -0.688 . . . . 0.0 109.548 179.483 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.494 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.9 mpt_? -60.42 -42.65 96.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.06 -1.025 . . . . 0.0 108.984 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.21 -40.01 88.6 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.014 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -60.02 -45.67 92.01 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.54 -41.12 84.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.95 -40.89 99.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.298 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.02 -40.56 89.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.439 -0.788 . . . . 0.0 109.565 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.95 -40.08 91.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.029 -1.044 . . . . 0.0 109.265 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.428 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.7 mt -64.33 -40.09 95.2 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.206 -0.934 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -61.89 -40.0 93.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.92 -40.13 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.426 -0.796 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -60.0 -47.9 83.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.459 -179.527 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.82 89.12 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.403 -179.2 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.976 -1.308 . . . . 0.0 109.381 -179.225 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.4 -40.04 92.93 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.271 -0.893 . . . . 0.0 108.992 179.005 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.442 -0.786 . . . . 0.0 109.503 -179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.03 -39.91 87.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.913 -1.117 . . . . 0.0 108.445 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.218 -0.926 . . . . 0.0 109.112 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 70.6 p -60.1 -41.01 91.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.824 -1.173 . . . . 0.0 108.709 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.567 HH22 ' CG ' ' C' ' 82' ' ' ASN . 48.7 mtt-85 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.689 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.83 -42.79 93.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.654 -0.654 . . . . 0.0 109.936 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.888 -1.132 . . . . 0.0 110.197 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.137 . . . . 0.0 108.117 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.28 -39.81 81.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 CA-C-O 121.183 0.516 . . . . 0.0 109.816 179.158 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.02 -40.88 90.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.088 -1.008 . . . . 0.0 108.87 -178.549 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.09 -42.6 99.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.393 -0.817 . . . . 0.0 109.621 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.7 m-85 -69.22 -38.08 78.35 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.0 109.761 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.433 ' CD2' HE22 ' A' ' 52' ' ' GLN . 50.7 mt -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.914 -1.116 . . . . 0.0 109.106 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.51 -39.97 95.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.805 -1.185 . . . . 0.0 108.658 178.591 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.09 -40.11 88.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.057 -1.027 . . . . 0.0 108.996 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.424 HE22 ' CD2' ' C' ' 49' ' ' LEU . 37.7 mt-30 -60.38 -39.94 89.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 109.467 179.109 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.52 64.5 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.831 -1.168 . . . . 0.0 108.293 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.557 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.53 125.54 35.24 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.93 108.95 15.85 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.046 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.07 136.98 35.14 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.996 -178.495 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 78' ' ' THR . 15.2 t -90.58 112.71 54.62 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.315 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -94.57 -46.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 121.671 1.58 . . . . 0.0 114.728 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -120.17 -46.34 2.42 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.184 -0.947 . . . . 0.0 113.032 -176.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.8 p90 -60.01 -56.49 21.04 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.408 -1.432 . . . . 0.0 112.526 -176.298 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.2 OUTLIER -75.91 -38.25 57.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.104 -1.622 . . . . 0.0 110.0 -179.227 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -60.02 -43.95 94.94 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.193 -0.942 . . . . 0.0 109.063 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -45.97 90.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 108.45 178.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 75.1 p -67.26 -40.03 86.18 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.378 -0.826 . . . . 0.0 109.059 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.416 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.8 t-105 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.96 -40.98 90.92 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.563 -1.336 . . . . 0.0 108.445 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.34 -40.01 92.68 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.524 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.416 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.9 t90 -59.99 -48.39 81.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.62 -40.37 96.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.173 -0.955 . . . . 0.0 109.595 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -63.64 -41.9 98.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 110.312 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.69 -43.77 97.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.879 -1.138 . . . . 0.0 109.857 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -40.71 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.8 -40.0 91.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.077 -1.014 . . . . 0.0 111.148 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -68.98 -40.04 79.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.617 -1.302 . . . . 0.0 109.655 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.72 -40.18 94.89 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.162 -0.961 . . . . 0.0 109.646 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.97 -40.99 97.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.167 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -68.68 -39.95 80.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.997 -1.064 . . . . 0.0 109.493 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.98 -40.6 95.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.275 -0.891 . . . . 0.0 109.332 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.76 -46.53 96.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.203 -0.936 . . . . 0.0 109.245 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.9 p -59.99 -42.13 93.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.126 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.39 -40.32 93.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.207 -0.933 . . . . 0.0 109.666 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -40.85 97.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.086 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.0 -48.4 81.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.106 -0.996 . . . . 0.0 109.243 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.1 -41.86 97.45 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.013 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.17 83.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.338 -0.851 . . . . 0.0 109.623 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.1 -44.99 94.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.963 . . . . 0.0 109.619 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.07 -45.4 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.008 -1.058 . . . . 0.0 109.297 179.65 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -69.6 -40.0 76.91 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.358 -0.839 . . . . 0.0 110.105 -179.365 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -50.05 75.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.056 -1.028 . . . . 0.0 109.728 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -42.5 95.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 109.474 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -61.54 -41.68 97.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.281 -0.887 . . . . 0.0 109.662 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -63.84 -44.84 91.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.096 -1.002 . . . . 0.0 109.246 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 108.816 179.488 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.25 -40.04 94.86 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.479 -0.763 . . . . 0.0 108.952 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.506 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.17 -42.64 95.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 108.857 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.506 ' N ' HG23 ' C' ' 5' ' ' THR . 59.1 tp -59.95 -43.58 94.94 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.922 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.31 -39.97 96.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.499 -0.75 . . . . 0.0 109.183 178.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.24 91.96 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.226 -0.921 . . . . 0.0 108.794 -179.405 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.8 -44.47 69.35 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -49.97 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 0.0 109.473 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.13 -47.19 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.253 -0.905 . . . . 0.0 109.212 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.82 -40.07 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 109.065 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.9 -43.71 94.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.361 -0.837 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.26 -41.49 93.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.972 -1.08 . . . . 0.0 109.492 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.11 -42.6 95.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.071 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.35 -40.78 94.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.444 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.13 -44.33 97.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.02 -1.05 . . . . 0.0 109.131 179.12 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.25 -42.71 95.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.361 -0.837 . . . . 0.0 109.174 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 19' ' ' ASP . . . . . 0.482 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.0 t0 -59.96 -47.24 86.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 110.003 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.93 -40.05 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.85 -40.26 94.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.606 -0.684 . . . . 0.0 109.586 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.482 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.9 mpt_? -60.38 -42.77 96.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 108.909 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 0.0 108.991 179.731 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -60.05 -45.67 92.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.59 -41.15 84.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.0 -40.72 98.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.34 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.04 -40.75 90.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 109.585 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.72 -39.95 90.52 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.966 -1.084 . . . . 0.0 109.408 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.434 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.9 mt -64.43 -40.25 95.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.62 -179.612 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -61.73 -40.0 93.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.058 -1.026 . . . . 0.0 109.484 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.01 -40.06 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.421 -0.799 . . . . 0.0 109.311 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -59.97 -48.07 83.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.886 . . . . 0.0 110.448 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -47.76 89.42 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.409 -179.186 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.925 -1.338 . . . . 0.0 109.343 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.3 -39.99 92.49 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.286 -0.884 . . . . 0.0 109.1 179.101 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.99 -40.07 87.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.838 -1.164 . . . . 0.0 108.388 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -40.05 87.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.257 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -60.12 -41.14 91.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.69 -1.256 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.594 HH22 ' CG ' ' A' ' 82' ' ' ASN . 49.6 mtt-85 -62.4 -39.94 94.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 0.0 108.314 178.645 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.08 -42.74 94.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.65 -0.656 . . . . 0.0 109.909 -179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.88 -1.138 . . . . 0.0 110.058 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.47 98.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.163 . . . . 0.0 108.086 179.062 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.43 -39.69 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.881 -0.512 . . . . 0.0 109.869 179.23 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.97 -40.36 88.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.158 -0.964 . . . . 0.0 109.122 -178.615 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.63 -42.49 99.62 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 109.684 179.643 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.7 m-85 -69.18 -38.21 78.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.31 -0.869 . . . . 0.0 109.691 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.424 ' CD2' HE22 ' B' ' 52' ' ' GLN . 50.0 mt -60.0 -40.05 87.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.978 -1.076 . . . . 0.0 109.176 179.728 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -63.44 -40.0 95.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.121 . . . . 0.0 108.759 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 0.0 109.097 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.424 HE22 ' CD2' ' A' ' 49' ' ' LEU . 37.7 mt-30 -60.56 -39.92 89.73 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.897 -1.127 . . . . 0.0 109.3 179.117 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.32 -32.45 64.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.968 -1.082 . . . . 0.0 108.233 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.594 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.066 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.58 125.67 35.31 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.88 108.97 15.82 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.1 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.5 mt -82.21 136.85 35.03 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.374 0.607 . . . . 0.0 109.947 -178.454 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.65 HG23 ' O ' ' C' ' 78' ' ' THR . 15.2 t -90.58 112.75 54.83 Favored Pre-proline 0 N--CA 1.494 1.768 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -94.68 -47.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 121.65 1.567 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -119.97 -46.43 2.43 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.253 -0.904 . . . . 0.0 112.99 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -60.04 -56.22 24.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.339 -1.476 . . . . 0.0 112.502 -176.264 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.682 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.2 OUTLIER -76.33 -37.83 56.8 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.077 -1.64 . . . . 0.0 109.856 -179.021 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -59.98 -44.23 94.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.222 -0.924 . . . . 0.0 109.085 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -46.0 90.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.102 -0.999 . . . . 0.0 108.503 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.7 p -67.25 -40.02 86.2 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.0 108.981 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 38.1 t-105 -62.65 -39.92 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.091 -1.005 . . . . 0.0 109.561 -179.783 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.12 -40.64 90.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.587 -1.32 . . . . 0.0 108.447 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.68 -39.85 92.9 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.515 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.428 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 54.5 t90 -60.1 -48.62 80.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -41.05 98.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.037 -1.039 . . . . 0.0 109.567 179.493 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -63.1 -41.83 99.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 110.539 -179.535 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.92 -43.49 98.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.866 -1.146 . . . . 0.0 109.743 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.61 -40.54 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.01 -40.02 91.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.147 -0.97 . . . . 0.0 111.162 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.96 -39.97 79.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.638 -1.289 . . . . 0.0 109.59 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.13 -0.981 . . . . 0.0 109.657 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.98 -40.43 96.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 110.201 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.985 -1.072 . . . . 0.0 109.479 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.83 -40.83 95.83 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.206 -0.934 . . . . 0.0 109.328 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.56 -46.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.25 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.1 p -60.03 -42.34 94.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.218 -0.926 . . . . 0.0 109.972 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.45 96.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.058 -1.026 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.27 -40.43 93.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.222 -0.924 . . . . 0.0 109.63 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.56 -40.79 97.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.068 -1.02 . . . . 0.0 109.222 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.02 -48.14 82.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.156 -0.965 . . . . 0.0 109.302 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.6 -41.55 97.61 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.178 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.2 83.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.557 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -59.94 -45.23 93.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.16 -45.44 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 109.207 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -69.44 -39.98 77.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.17 -49.96 75.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.994 -1.066 . . . . 0.0 109.783 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.17 -42.93 96.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.05 -41.85 97.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.286 -0.884 . . . . 0.0 109.799 -179.524 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -63.67 -44.85 92.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.98 -1.075 . . . . 0.0 109.259 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.487 1.414 0 O-C-N 121.348 -0.845 . . . . 0.0 108.729 179.453 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -62.64 -39.98 95.56 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 108.753 179.421 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.5 t -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.425 -0.797 . . . . 0.0 109.74 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.47 ' N ' HG23 ' A' ' 5' ' ' THR . 58.6 tp -59.98 -45.83 91.44 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.394 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.55 -40.02 93.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.17 88.15 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.84 63.89 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.95 -47.66 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -1.081 . . . . 0.0 109.317 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.0 108.916 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.72 -39.96 90.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 109.892 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.05 -40.96 91.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.084 -1.01 . . . . 0.0 109.103 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.62 -40.06 90.5 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.141 -0.974 . . . . 0.0 109.04 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.94 -44.24 94.5 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.094 -1.003 . . . . 0.0 108.986 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.34 -42.87 96.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.164 -0.96 . . . . 0.0 109.265 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.28 -42.08 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.196 -0.94 . . . . 0.0 109.095 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.09 -43.78 95.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.402 -0.811 . . . . 0.0 109.273 179.343 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.11 -47.97 83.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.302 -0.873 . . . . 0.0 110.016 -179.322 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.99 -40.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.314 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -44.92 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.935 . . . . 0.0 109.064 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -41.55 92.41 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.502 -0.749 . . . . 0.0 109.036 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 52.3 mtt-85 -60.88 -40.01 91.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.729 -179.598 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.14 -40.03 88.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.176 -0.952 . . . . 0.0 109.142 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.964 . . . . 0.0 108.899 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.44 -42.33 95.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 0.0 109.161 179.623 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 HD13 ' B' ' 28' ' ' LEU . 23.8 tp -61.19 -41.85 97.54 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.358 -0.839 . . . . 0.0 109.023 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 HD23 ' C' ' 27' ' ' LEU . 23.1 mt -60.06 -40.4 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.422 -0.799 . . . . 0.0 109.587 179.654 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.97 -40.1 87.92 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.069 -1.019 . . . . 0.0 109.143 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.9 mt -61.5 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.983 -1.073 . . . . 0.0 109.602 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.2 p -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.098 -1.001 . . . . 0.0 109.418 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.35 -40.23 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.02 -41.2 91.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -48.38 86.35 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.118 -1.225 . . . . 0.0 109.878 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.945 . . . . 0.0 109.917 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.459 HD21 HH21 ' A' ' 41' ' ' ARG . 48.1 t-20 -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.163 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.87 -40.09 91.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.955 -1.091 . . . . 0.0 109.447 179.56 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -59.97 -40.83 90.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 43' ' ' THR . 72.7 p -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 39.2 mtt-85 -67.84 -39.18 83.89 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.108 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -41.99 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.088 -1.008 . . . . 0.0 108.496 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 40' ' ' THR . 82.0 p -60.14 -40.26 89.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.007 -1.058 . . . . 0.0 108.845 179.252 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.98 97.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.282 -1.511 . . . . 0.0 108.804 178.763 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.61 -40.0 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.535 -0.728 . . . . 0.0 110.247 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.843 -1.161 . . . . 0.0 109.541 -179.118 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.28 -39.99 96.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.711 -1.243 . . . . 0.0 109.677 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.7 m-85 -69.21 -40.04 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.754 ' HB3' HD21 ' A' ' 74' ' ' ASN . 80.2 mt -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.549 -1.344 . . . . 0.0 108.789 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.54 -40.01 89.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.938 -1.101 . . . . 0.0 108.74 178.524 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.55 86.2 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -59.3 -40.01 84.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.099 -1.0 . . . . 0.0 108.643 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.93 77.57 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.835 -1.166 . . . . 0.0 108.208 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.09 179.698 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.754 HD21 ' HB3' ' A' ' 49' ' ' LEU . 59.0 t30 . . . . . 0 N--CA 1.5 2.053 0 CA-C-O 121.418 0.628 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.29 126.66 35.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 108.645 179.746 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.28 110.32 15.61 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.82 135.17 36.41 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.675 0.75 . . . . 0.0 109.795 -178.311 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 78' ' ' THR . 5.3 t -92.23 113.86 60.47 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -90.26 -48.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.153 0 C-N-CA 121.655 1.57 . . . . 0.0 113.946 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.89 2.3 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -177.063 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -60.03 -47.83 84.22 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.288 -1.508 . . . . 0.0 112.611 -175.734 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.4 t30 -70.39 -44.87 67.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 119.89 -1.756 . . . . 0.0 110.04 -179.803 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -60.13 -49.94 75.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 110.765 -178.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -64.89 -41.95 95.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.741 -1.225 . . . . 0.0 109.927 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -70.04 -40.02 75.4 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.114 -0.992 . . . . 0.0 109.692 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.437 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 39.9 t-105 -68.34 -39.98 81.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.398 -179.463 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.746 -1.221 . . . . 0.0 108.457 179.307 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -42.95 95.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.787 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.3 t90 -59.97 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.44 -0.787 . . . . 0.0 109.157 179.082 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.14 -41.62 98.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.352 -0.842 . . . . 0.0 109.277 179.589 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.26 -42.94 96.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 110.505 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.48 94.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.674 -1.266 . . . . 0.0 109.14 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.99 -40.97 89.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.284 -0.885 . . . . 0.0 108.831 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.01 -48.18 82.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.44 -0.788 . . . . 0.0 110.021 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -60.46 -47.58 85.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.938 -1.101 . . . . 0.0 109.632 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.59 -42.07 98.33 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.26 -0.9 . . . . 0.0 109.319 -179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.99 -46.11 92.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.53 -41.9 96.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.987 -179.248 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.464 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 47.0 t-20 -66.17 -40.03 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.662 -179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.18 -40.13 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 0.0 109.587 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -60.95 -40.62 94.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.01 75.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.346 -0.846 . . . . 0.0 109.783 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.09 -42.35 99.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -49.98 75.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 108.862 179.283 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -48.53 81.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.365 -0.834 . . . . 0.0 109.116 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.99 -40.98 95.54 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.304 -0.872 . . . . 0.0 109.353 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.43 97.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 109.719 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.07 -47.32 86.36 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.152 -0.968 . . . . 0.0 109.135 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.53 -50.01 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.008 . . . . 0.0 109.134 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.15 -40.14 96.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.497 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.95 -49.0 79.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.741 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -40.04 94.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 109.677 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -62.38 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.08 -1.012 . . . . 0.0 109.75 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.43 -43.48 98.79 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.091 -1.005 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.834 . . . . 0.0 109.704 179.89 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -63.11 -40.03 96.43 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.466 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -59.99 -40.9 90.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.431 -0.793 . . . . 0.0 109.754 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.466 ' N ' HG23 ' B' ' 5' ' ' THR . 59.3 tp -59.93 -46.22 90.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.401 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.15 -39.95 92.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.663 -0.648 . . . . 0.0 109.328 178.572 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.02 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -47.12 65.28 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 178.761 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.93 -47.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.288 -1.125 . . . . 0.0 109.234 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.8 t -59.94 -47.3 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.049 -1.032 . . . . 0.0 109.254 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.79 -40.03 91.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.89 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.0 -41.0 91.16 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.0 109.242 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.41 -40.11 89.82 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.005 -1.059 . . . . 0.0 109.079 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.02 -43.85 94.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.331 -0.856 . . . . 0.0 109.019 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -42.55 98.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.167 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.6 -42.08 99.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.96 . . . . 0.0 109.098 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.0 tp -60.05 -43.71 95.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.0 109.133 179.37 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.94 -47.94 83.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.04 -40.03 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -44.94 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.152 -0.967 . . . . 0.0 109.081 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -41.49 92.56 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.486 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 50.4 mtt-85 -61.1 -40.07 92.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.632 -0.668 . . . . 0.0 109.548 -179.559 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.145 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.02 -49.77 76.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -42.29 97.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.011 -1.056 . . . . 0.0 108.953 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.19 -41.62 97.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.437 -0.79 . . . . 0.0 109.052 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.43 HD13 HD23 ' A' ' 27' ' ' LEU . 21.6 mt -60.34 -40.02 89.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 109.554 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.11 89.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.149 -0.969 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.465 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.6 mt -61.55 -41.87 98.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.882 . . . . 0.0 109.562 179.517 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -63.03 -40.05 96.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.229 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -40.0 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.301 -0.875 . . . . 0.0 108.835 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.441 -0.787 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.77 -48.31 86.7 Favored Glycine 0 N--CA 1.487 2.077 0 C-N-CA 119.422 -1.37 . . . . 0.0 109.714 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.05 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.057 -1.261 . . . . 0.0 109.944 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.15 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.456 HD21 HH21 ' B' ' 41' ' ' ARG . 47.9 t-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.985 . . . . 0.0 109.154 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.05 -40.01 92.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.026 -1.046 . . . . 0.0 109.554 179.598 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.02 -40.84 90.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.025 . . . . 0.0 109.858 -179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.3 p -60.11 -40.0 88.14 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.509 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 39.5 mtt-85 -67.76 -39.1 84.18 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -42.04 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.065 -1.022 . . . . 0.0 108.44 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 82.5 p -60.02 -40.24 88.6 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.942 -1.099 . . . . 0.0 108.907 179.132 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.52 98.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.38 -1.45 . . . . 0.0 108.689 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.01 -39.96 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.51 -0.744 . . . . 0.0 110.338 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.91 -1.119 . . . . 0.0 109.489 -179.13 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.31 -39.99 96.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.774 -1.204 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.07 -39.97 78.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.685 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.728 ' HB3' HD21 ' B' ' 74' ' ' ASN . 80.3 mt -60.0 -40.56 89.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.673 -1.267 . . . . 0.0 108.755 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.33 -40.09 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.042 -1.036 . . . . 0.0 108.679 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.96 -39.63 86.27 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 1.0 OUTLIER -59.32 -39.73 84.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.096 -1.002 . . . . 0.0 108.637 -179.841 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.95 78.7 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.816 -1.178 . . . . 0.0 108.217 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.971 . . . . 0.0 108.975 179.788 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.728 HD21 ' HB3' ' B' ' 49' ' ' LEU . 59.2 t30 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 121.421 0.629 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.86 36.04 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.199 -0.938 . . . . 0.0 108.59 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.51 110.35 15.89 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -80.11 134.89 36.22 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.695 0.759 . . . . 0.0 109.783 -178.197 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.557 HG23 ' O ' ' B' ' 78' ' ' THR . 5.7 t -91.9 113.8 60.03 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.773 . . . . 0.0 108.977 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -90.21 -48.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.599 1.533 . . . . 0.0 113.863 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.39 -43.65 2.29 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -47.89 83.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.251 -1.531 . . . . 0.0 112.569 -175.686 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.4 t30 -70.31 -44.79 67.55 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.02 -1.675 . . . . 0.0 110.163 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -60.25 -49.93 75.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.154 -0.966 . . . . 0.0 110.82 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.86 -41.92 95.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.875 -1.141 . . . . 0.0 110.043 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -70.1 -40.01 75.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.163 -0.96 . . . . 0.0 109.656 179.691 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.447 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 40.2 t-105 -68.37 -39.99 81.58 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.01 -1.056 . . . . 0.0 109.341 -179.406 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -60.02 -41.09 91.45 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.81 -1.181 . . . . 0.0 108.425 179.251 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.38 -42.66 96.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.447 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 55.8 t90 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.122 179.025 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 -41.67 98.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.342 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -60.23 -42.81 95.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.274 -0.891 . . . . 0.0 110.518 -179.698 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.77 95.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.061 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.328 -0.857 . . . . 0.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.1 -48.46 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -60.58 -47.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.104 -0.997 . . . . 0.0 109.776 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.88 -42.27 98.86 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.139 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.352 -0.843 . . . . 0.0 109.545 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.68 -41.41 96.08 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 110.067 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 47.2 t-20 -66.23 -40.0 89.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 0.0 109.708 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.32 -40.0 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.06 -1.025 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -61.01 -41.14 95.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.98 75.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.393 -0.817 . . . . 0.0 109.852 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.441 HD11 ' HE ' ' A' ' 23' ' ' ARG . 82.8 mt -62.1 -42.5 99.28 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.016 -1.052 . . . . 0.0 108.914 -179.533 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.962 . . . . 0.0 108.886 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -48.77 80.34 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.3 -0.875 . . . . 0.0 109.061 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.7 -40.84 93.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 0.0 109.479 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.3 98.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -59.95 -47.88 83.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -50.06 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 109.345 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.29 -40.01 96.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -59.94 -49.04 79.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 109.605 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.51 -40.05 94.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.96 -40.04 94.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 109.868 179.604 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -61.44 -43.83 98.19 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.219 -0.926 . . . . 0.0 109.155 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.911 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -62.92 -39.97 96.18 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.474 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.4 t -60.06 -41.08 91.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.453 -0.779 . . . . 0.0 109.699 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.474 ' N ' HG23 ' C' ' 5' ' ' THR . 58.2 tp -60.03 -45.77 91.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.921 -1.112 . . . . 0.0 108.093 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.36 -40.04 92.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.598 -0.688 . . . . 0.0 109.286 178.598 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.16 88.14 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.81 -47.29 61.8 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 178.815 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -47.4 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.305 -1.115 . . . . 0.0 109.209 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.06 -47.54 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.46 -40.02 89.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 0.0 109.888 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -40.81 90.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.97 -1.081 . . . . 0.0 109.247 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.53 -40.21 90.68 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.024 -1.047 . . . . 0.0 109.177 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -44.12 94.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.33 -0.856 . . . . 0.0 108.954 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.61 -42.74 97.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.205 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.46 -42.05 99.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.0 109.118 179.293 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.172 179.298 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.02 -47.94 83.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.316 -0.865 . . . . 0.0 110.185 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.06 -40.07 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.002 -1.061 . . . . 0.0 109.457 -179.587 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.93 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.159 -0.963 . . . . 0.0 108.999 179.819 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.07 -41.58 92.68 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.389 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.464 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 51.7 mtt-85 -60.9 -39.94 91.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.59 -0.693 . . . . 0.0 109.671 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.17 -39.97 88.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.874 . . . . 0.0 109.349 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.93 -49.87 75.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.975 . . . . 0.0 108.924 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.71 -42.34 97.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 108.936 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.426 HD23 HD13 ' A' ' 28' ' ' LEU . 23.9 tp -61.22 -41.67 97.26 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.345 -0.847 . . . . 0.0 109.085 179.543 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.31 -40.27 89.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.576 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.05 -40.12 88.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.091 -1.006 . . . . 0.0 109.091 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -61.62 -41.87 98.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.562 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -63.0 -40.03 96.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.0 109.453 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.51 -40.05 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -59.87 -41.17 90.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.704 . . . . 0.0 110.276 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.4 86.27 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.01 -49.92 75.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.23 -1.159 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 110.227 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.442 HD21 HH21 ' C' ' 41' ' ' ARG . 47.7 t-20 -59.96 -40.07 87.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.124 -0.985 . . . . 0.0 109.106 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.92 -40.1 91.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.075 -1.016 . . . . 0.0 109.63 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.95 -40.84 90.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.115 -0.991 . . . . 0.0 109.9 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 68.5 p -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.7 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 39.8 mtt-85 -67.85 -38.99 83.85 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.888 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -42.11 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.065 -1.022 . . . . 0.0 108.615 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 82.7 p -60.07 -39.96 87.83 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.18 -0.95 . . . . 0.0 108.83 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.04 97.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.358 -1.464 . . . . 0.0 108.648 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.45 -40.0 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.52 -0.737 . . . . 0.0 110.274 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.99 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.847 -1.158 . . . . 0.0 109.501 -179.169 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.25 -40.11 96.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.737 -1.227 . . . . 0.0 109.667 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 58.7 m-85 -69.09 -39.98 78.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.757 ' HB3' HD21 ' C' ' 74' ' ' ASN . 80.6 mt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.58 -1.325 . . . . 0.0 108.786 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.96 -39.99 91.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.942 -1.099 . . . . 0.0 108.686 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.38 85.58 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 1.0 OUTLIER -59.5 -40.0 85.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.84 77.12 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.744 -1.222 . . . . 0.0 108.265 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.772 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.757 HD21 ' HB3' ' C' ' 49' ' ' LEU . 59.2 t30 . . . . . 0 N--CA 1.5 2.049 0 CA-C-O 121.36 0.6 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.58 35.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.891 . . . . 0.0 108.839 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -80.29 110.01 15.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 mt -79.66 134.92 36.44 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.671 0.748 . . . . 0.0 109.76 -178.323 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.543 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -92.11 113.92 60.56 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.21 -48.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.53 1.487 . . . . 0.0 114.002 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.67 2.31 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -177.138 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.91 -48.2 82.67 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.353 -1.467 . . . . 0.0 112.592 -175.736 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.5 t30 -70.06 -44.98 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.98 -1.7 . . . . 0.0 110.18 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.03 -50.01 75.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.205 -0.935 . . . . 0.0 110.571 -178.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.88 -41.76 95.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.805 -1.184 . . . . 0.0 110.129 -179.178 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 42.4 p -70.17 -40.05 74.92 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.189 -0.945 . . . . 0.0 109.537 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.442 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.0 t-105 -68.33 -40.04 81.76 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.42 -179.298 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -60.0 -41.24 91.66 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.702 -1.248 . . . . 0.0 108.38 179.258 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.465 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.0 t90 -59.94 -50.05 75.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.465 -0.772 . . . . 0.0 109.089 179.064 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.43 -41.34 98.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.344 -0.848 . . . . 0.0 109.271 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.69 -42.84 97.94 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 110.444 -179.706 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -59.97 -42.5 94.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.043 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.8 -41.28 90.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.276 -0.89 . . . . 0.0 108.835 179.211 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.95 -48.2 82.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.344 -0.848 . . . . 0.0 109.871 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.59 -47.34 86.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.962 -1.086 . . . . 0.0 109.715 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.44 -42.53 98.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.187 -0.945 . . . . 0.0 109.243 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 -46.25 90.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 0.0 109.615 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -41.73 95.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.942 -179.167 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.486 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 47.0 t-20 -66.13 -39.92 90.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 0.0 109.641 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.3 -40.13 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.014 -1.054 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -60.99 -41.24 96.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.457 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.02 75.33 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.285 -0.885 . . . . 0.0 109.941 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.426 HD11 ' HE ' ' B' ' 23' ' ' ARG . 82.5 mt -62.02 -42.35 99.07 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.026 -1.046 . . . . 0.0 108.92 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.0 -49.92 75.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.023 179.278 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -48.69 80.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.001 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.69 -41.13 94.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.292 -0.88 . . . . 0.0 109.386 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.659 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -60.03 -47.82 84.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.156 -0.965 . . . . 0.0 109.187 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.13 -49.98 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.0 109.367 179.192 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -60.02 -48.99 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.412 -0.805 . . . . 0.0 109.599 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.64 -40.0 94.69 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.99 -40.29 95.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.988 -1.07 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.22 -43.63 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.196 -0.94 . . . . 0.0 109.347 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.488 1.45 0 O-C-N 121.24 -0.912 . . . . 0.0 109.552 179.864 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.39 145.03 32.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.342 -0.849 . . . . 0.0 109.714 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -89.63 61.44 5.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.79 HH12 ' H ' ' A' ' 122' ' ' ASN . 42.7 mtp180 -62.36 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.404 -0.81 . . . . 0.0 109.836 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.06 -45.49 92.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.011 -1.056 . . . . 0.0 108.768 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' N ' HG23 ' A' ' 5' ' ' THR . 59.6 tp -61.84 -44.43 96.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.064 -1.023 . . . . 0.0 108.783 178.802 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.32 -39.97 96.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.566 -0.708 . . . . 0.0 109.603 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.48 89.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.071 -1.018 . . . . 0.0 108.349 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.514 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -67.4 -48.31 58.47 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 178.432 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -49.0 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.337 -1.096 . . . . 0.0 109.106 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.68 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.45 -40.37 96.38 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 109.9 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.04 -41.23 91.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 109.375 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.23 -41.52 93.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.075 -1.015 . . . . 0.0 109.236 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.46 -44.06 96.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.164 -0.96 . . . . 0.0 109.249 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.61 -40.74 95.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.14 -0.975 . . . . 0.0 109.048 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.99 -40.54 95.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -0.865 . . . . 0.0 109.008 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.97 -44.37 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.0 -48.7 80.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.983 -179.45 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.07 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.95 -1.094 . . . . 0.0 108.919 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.09 -49.49 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -0.938 . . . . 0.0 108.517 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.02 -40.5 93.79 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -60.47 -39.94 89.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.663 -0.648 . . . . 0.0 109.759 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.08 -40.0 88.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 109.165 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -59.96 -44.8 94.19 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.085 -1.01 . . . . 0.0 108.993 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.87 -44.75 96.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.978 -1.076 . . . . 0.0 109.037 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.47 -41.61 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 109.501 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.99 -40.22 88.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 109.831 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.7 91.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 109.426 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.6 mt -61.79 -41.36 97.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.073 -1.017 . . . . 0.0 109.521 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -63.51 -40.1 96.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.06 -40.13 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.333 -0.854 . . . . 0.0 108.919 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -59.98 -43.37 95.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.41 -0.806 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.24 86.93 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.127 -1.219 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -60.6 -39.97 90.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.089 -1.007 . . . . 0.0 110.66 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.0 -40.73 90.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.95 -1.094 . . . . 0.0 109.547 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.42 -39.95 89.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.073 -1.017 . . . . 0.0 109.164 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.06 -41.6 92.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.308 -0.87 . . . . 0.0 109.768 -179.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -60.08 -40.92 91.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.89 -1.131 . . . . 0.0 108.643 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.474 HH21 ' ND2' ' B' ' 82' ' ' ASN . 87.0 mtt180 -66.19 -40.0 90.09 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.112 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -40.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.385 -0.822 . . . . 0.0 109.378 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.0 p -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.044 -1.035 . . . . 0.0 109.006 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.04 82.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.814 -1.179 . . . . 0.0 109.72 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.53 -41.6 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.071 -1.018 . . . . 0.0 111.053 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.25 -40.01 94.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.569 -1.332 . . . . 0.0 108.532 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.98 -45.49 92.55 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.195 179.106 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 35.6 m-85 -62.48 -39.93 95.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 178.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.66 -39.18 83.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.949 -1.094 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -39.89 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.871 -1.143 . . . . 0.0 108.83 178.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.03 -39.12 84.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.273 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 48' ' ' TYR . 3.0 mp0 -59.92 -39.81 86.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.0 109.082 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.89 80.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.849 -1.157 . . . . 0.0 108.266 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.229 -0.92 . . . . 0.0 109.079 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.57 116.16 8.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.797 -1.19 . . . . 0.0 108.075 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -133.75 -57.2 0.88 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.444 -0.785 . . . . 0.0 110.758 -178.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.871 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.39 115.37 4.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.058 -1.026 . . . . 0.0 110.503 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.82 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 74.9 m95 -101.71 129.13 47.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.507 -0.746 . . . . 0.0 109.42 178.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 68.72 17.84 71.57 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.128 -1.034 . . . . 0.0 110.709 178.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.21 24.45 0.13 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.679 -1.483 . . . . 0.0 109.262 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.16 111.38 2.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.242 179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 32.2 m-85 -120.19 11.27 11.55 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.435 -0.791 . . . . 0.0 110.245 179.169 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -142.68 24.55 1.87 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.0 mt-30 -144.92 152.12 39.73 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -104.21 58.02 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.85 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.71 133.19 46.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.085 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 68' ' ' THR . 7.7 t -92.75 114.77 27.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.851 -1.156 . . . . 0.0 109.824 -178.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 69' ' ' THR . 11.8 t -109.91 120.33 42.13 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.705 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -121.62 83.81 42.16 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 121.496 -0.752 . . . . 0.0 109.046 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.07 63.65 7.0 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.562 2.175 . . . . 0.0 111.266 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.7 t90 -68.93 136.81 89.76 Favored Pre-proline 0 C--N 1.303 -1.433 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 90.8 Cg_exo -39.91 149.53 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.122 0 C-N-CA 121.4 1.4 . . . . 0.0 111.165 179.444 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.537 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 54.1 t-20 -128.86 -58.87 1.14 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.337 -0.852 . . . . 0.0 108.926 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.18 127.75 40.2 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -79.95 110.25 15.15 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.852 -1.155 . . . . 0.0 107.922 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.8 135.76 37.17 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.722 0.772 . . . . 0.0 109.743 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 78' ' ' THR . 9.3 t -91.43 116.08 65.72 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.689 -0.632 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.87 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.533 1.489 . . . . 0.0 114.274 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.33 -42.17 2.37 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.2 p90 -59.8 -49.17 78.75 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.332 -1.48 . . . . 0.0 113.098 -175.313 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 11.4 m120 -72.99 -45.72 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 119.853 -1.78 . . . . 0.0 110.628 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.897 -1.127 . . . . 0.0 110.993 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.28 -42.25 88.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.699 -1.25 . . . . 0.0 109.63 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 81' ' ' TRP . 77.5 p -70.04 -40.0 75.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.218 -0.926 . . . . 0.0 110.117 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.408 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 27.9 t-105 -68.85 -40.19 79.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.472 -179.073 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.16 -42.46 94.97 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.425 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.08 -41.34 98.07 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 108.914 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.472 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 55.9 t90 -60.03 -49.99 75.5 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.379 -0.825 . . . . 0.0 109.513 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.07 -40.03 96.46 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.333 -0.854 . . . . 0.0 109.454 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.48 -41.92 99.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.291 -0.88 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.02 -43.37 95.3 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.703 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.19 -41.79 90.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -43.53 95.14 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.983 . . . . 0.0 110.426 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.14 -40.06 78.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.759 -1.213 . . . . 0.0 108.915 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.53 -43.74 93.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.399 -0.813 . . . . 0.0 109.704 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.55 -43.76 96.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.748 -1.22 . . . . 0.0 109.573 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.32 -40.18 93.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.832 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.95 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.432 -0.793 . . . . 0.0 109.873 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.19 -40.24 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.063 -1.023 . . . . 0.0 109.739 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -62.06 -40.66 96.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.071 -1.018 . . . . 0.0 109.287 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.38 82.01 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.236 -0.915 . . . . 0.0 109.753 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.54 -39.93 94.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.16 -0.962 . . . . 0.0 109.7 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.61 -41.92 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.037 -1.04 . . . . 0.0 109.059 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.14 -45.59 94.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.602 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.33 -39.99 89.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -0.856 . . . . 0.0 108.999 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.97 97.85 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.399 -0.813 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -49.75 76.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.044 -1.035 . . . . 0.0 109.207 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.07 -50.03 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.872 . . . . 0.0 109.039 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.5 tt0 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.454 -0.779 . . . . 0.0 109.923 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.02 -46.58 89.01 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.821 -179.182 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -39.98 92.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.03 -1.044 . . . . 0.0 109.493 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -65.91 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.111 -0.993 . . . . 0.0 110.222 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -62.42 -41.53 98.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.811 -1.181 . . . . 0.0 109.842 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.75 -39.95 80.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.328 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.65 -41.65 95.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.25 -0.906 . . . . 0.0 108.955 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.477 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 53.9 tp -59.97 -40.91 90.69 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.74 -39.53 94.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.473 -0.767 . . . . 0.0 109.421 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.91 -35.45 74.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.409 -0.807 . . . . 0.0 109.994 -178.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 121' ' ' LEU . 86.3 mt -56.26 -47.81 77.81 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.851 -1.155 . . . . 0.0 108.39 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.79 ' H ' HH12 ' A' ' 4' ' ' ARG . 51.1 t30 -129.46 61.5 1.55 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.274 -0.891 . . . . 0.0 108.799 178.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.125 179.757 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.357 0.599 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.36 145.18 32.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.351 -0.843 . . . . 0.0 109.687 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -89.64 61.44 5.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.254 -0.904 . . . . 0.0 109.019 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.787 HH12 ' H ' ' B' ' 122' ' ' ASN . 42.9 mtp180 -62.37 -40.05 95.17 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.557 -0.714 . . . . 0.0 109.892 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.564 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.3 t -60.02 -45.59 92.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.023 -1.048 . . . . 0.0 108.79 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.564 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -61.78 -43.93 97.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 108.915 178.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.85 -39.96 95.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.519 -0.738 . . . . 0.0 109.526 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.118 -0.989 . . . . 0.0 108.453 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.91 -48.23 55.8 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 178.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -49.17 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.321 -1.105 . . . . 0.0 109.133 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.07 -45.71 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.004 -1.06 . . . . 0.0 108.678 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.53 -40.34 96.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.276 -0.89 . . . . 0.0 109.934 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.99 -41.49 92.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.308 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.251 -0.906 . . . . 0.0 109.288 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.19 -41.04 96.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.104 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -40.65 95.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.99 -44.31 94.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.08 -48.68 80.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.439 -0.788 . . . . 0.0 109.923 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.99 -40.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 0.0 108.972 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.48 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 108.534 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.09 -40.4 93.58 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.41 -40.07 89.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.642 -0.661 . . . . 0.0 109.722 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.107 -0.996 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -59.96 -44.87 94.16 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.196 -0.94 . . . . 0.0 108.883 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.85 -44.76 96.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.965 -1.084 . . . . 0.0 109.137 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.47 -41.69 94.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.477 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.99 -40.27 88.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.786 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.09 -40.84 91.01 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.16 -0.962 . . . . 0.0 109.42 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -61.59 -41.68 97.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.047 -1.033 . . . . 0.0 109.558 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -63.39 -40.0 96.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.429 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.0 t -61.08 -40.04 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 108.947 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -59.99 -43.26 95.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.64 -47.93 88.53 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.11 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.112 . . . . 0.0 110.217 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.52 -40.05 90.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.981 -1.074 . . . . 0.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.97 -40.65 89.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.862 -1.149 . . . . 0.0 109.534 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.53 -39.93 89.64 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -41.46 92.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 0.0 109.699 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' B' ' 43' ' ' THR . 70.3 p -60.11 -41.15 91.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.009 -1.057 . . . . 0.0 108.586 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.457 HH21 ' ND2' ' C' ' 82' ' ' ASN . 87.1 mtt180 -66.06 -40.04 90.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.351 -0.843 . . . . 0.0 109.399 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 40' ' ' THR . 68.1 p -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.957 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.12 83.06 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.81 -1.181 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.54 -41.61 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.996 -1.065 . . . . 0.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.23 -39.92 94.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.53 -1.357 . . . . 0.0 108.529 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -45.53 92.58 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.196 179.212 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 35.7 m-85 -62.35 -39.94 94.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.66 -39.35 84.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.873 -1.142 . . . . 0.0 108.868 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.921 -1.112 . . . . 0.0 108.743 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.01 -39.07 84.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.098 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.81 79.87 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.836 -1.165 . . . . 0.0 108.254 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 0.0 109.093 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -68.57 116.15 8.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.857 -1.152 . . . . 0.0 107.984 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -133.66 -56.98 0.89 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.311 -0.868 . . . . 0.0 110.717 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.82 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.68 115.29 3.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.0 -1.063 . . . . 0.0 110.578 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.843 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 73.9 m95 -101.68 129.06 47.74 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.533 -0.73 . . . . 0.0 109.379 179.187 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 68.82 17.75 71.68 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.019 -1.086 . . . . 0.0 110.761 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -76.23 24.38 0.14 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.647 -1.502 . . . . 0.0 109.309 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.29 111.42 2.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.311 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.483 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 32.1 m-85 -120.26 11.27 11.5 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.331 -0.856 . . . . 0.0 110.238 179.202 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.47 24.55 1.91 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.3 mt-30 -145.11 152.05 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.537 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -104.05 57.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.135 -0.978 . . . . 0.0 108.418 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.59 157.68 42.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 0.0 109.91 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.73 133.31 46.96 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.533 HG23 ' O ' ' B' ' 68' ' ' THR . 7.3 t -93.06 114.77 27.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.866 -1.146 . . . . 0.0 109.604 -178.824 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.572 HG23 ' O ' ' B' ' 69' ' ' THR . 11.8 t -109.92 120.36 42.23 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -121.72 83.81 42.76 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.527 -0.733 . . . . 0.0 109.096 -179.465 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.23 63.9 6.89 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.517 2.145 . . . . 0.0 111.254 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 30.2 t90 -69.01 136.56 89.57 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.419 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 89.4 Cg_exo -39.94 149.63 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.107 0 C-N-CA 121.437 1.425 . . . . 0.0 111.126 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.492 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 54.5 t-20 -128.77 -59.03 1.15 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -0.802 . . . . 0.0 108.904 -179.545 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.98 127.77 39.94 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 10.3 p -80.16 110.37 15.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.3 mt -78.98 135.94 37.07 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.707 0.765 . . . . 0.0 109.78 -178.22 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.614 HG23 ' O ' ' B' ' 78' ' ' THR . 8.9 t -91.43 115.99 65.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -89.82 -47.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.405 1.403 . . . . 0.0 114.211 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.47 -42.23 2.35 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -176.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -59.78 -49.1 79.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.305 -1.497 . . . . 0.0 113.016 -175.251 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 11.7 m120 -73.07 -45.68 55.95 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.778 -1.827 . . . . 0.0 110.6 -179.342 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.881 -1.137 . . . . 0.0 110.98 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.745 -1.222 . . . . 0.0 109.7 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 81' ' ' TRP . 75.1 p -70.16 -40.02 74.97 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.213 -0.929 . . . . 0.0 110.096 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.419 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 28.1 t-105 -69.0 -39.96 79.03 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 118.652 -1.219 . . . . 0.0 109.478 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.52 -42.38 96.33 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.706 -1.197 . . . . 0.0 108.405 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.01 -41.5 98.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 108.794 178.553 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.471 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 55.7 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.525 -0.735 . . . . 0.0 109.411 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.96 -39.99 96.35 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.259 -0.901 . . . . 0.0 109.547 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -62.64 -41.73 99.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 110.354 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.94 -43.66 94.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.784 -1.198 . . . . 0.0 108.657 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.86 -42.04 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.358 -0.839 . . . . 0.0 109.032 178.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 62.2 t0 -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.975 . . . . 0.0 110.55 -179.104 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 -39.97 78.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.678 -1.264 . . . . 0.0 109.01 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.51 -43.67 93.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.424 -0.798 . . . . 0.0 109.59 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -44.26 96.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.885 -1.134 . . . . 0.0 109.497 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.88 -40.19 92.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.295 -0.878 . . . . 0.0 109.368 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.365 -0.834 . . . . 0.0 109.945 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.14 -40.31 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.101 -1.0 . . . . 0.0 109.689 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.5 -40.22 96.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.943 -1.098 . . . . 0.0 109.272 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.51 81.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.3 -0.875 . . . . 0.0 109.74 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.38 -40.02 95.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.613 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.62 -42.09 91.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 109.12 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.67 -46.19 91.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.333 -0.855 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.97 -39.85 90.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.309 -0.87 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.85 98.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.338 -0.851 . . . . 0.0 109.394 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.075 -1.016 . . . . 0.0 109.351 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.406 ' CG2' ' HZ3' ' B' ' 113' ' ' LYS . 85.6 mt -60.09 -50.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.876 . . . . 0.0 109.1 179.517 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.6 tt0 -61.01 -39.96 91.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.509 -0.745 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.08 -46.33 89.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.859 . . . . 0.0 109.783 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.73 -40.0 91.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.009 -1.057 . . . . 0.0 109.586 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.406 ' HZ3' ' CG2' ' B' ' 109' ' ' ILE . 34.3 mttp -65.79 -40.01 91.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.047 -1.033 . . . . 0.0 110.166 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -62.56 -42.0 99.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.806 -1.184 . . . . 0.0 109.703 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.57 -39.98 80.78 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.172 -0.955 . . . . 0.0 109.479 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -41.23 93.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.28 -0.887 . . . . 0.0 109.109 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.75 -39.95 90.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 54.1 tp -59.99 -40.99 91.06 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.46 -39.65 95.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.452 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.96 -35.26 74.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.849 . . . . 0.0 110.109 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.33 -47.82 78.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.846 -1.159 . . . . 0.0 108.401 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 122' ' ' ASN . . . . . 0.787 ' H ' HH12 ' B' ' 4' ' ' ARG . 50.8 t30 -129.45 61.3 1.55 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.24 -0.913 . . . . 0.0 109.002 178.628 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.318 179.809 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 92.2 mm-40 -80.16 145.14 32.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.412 -0.805 . . . . 0.0 109.733 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -89.62 61.44 5.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.322 -0.861 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.816 HH12 ' H ' ' C' ' 122' ' ' ASN . 42.7 mtp180 -62.31 -40.02 94.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.524 -0.735 . . . . 0.0 109.851 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.57 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.1 t -59.94 -45.75 91.61 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 108.742 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.57 ' N ' HG23 ' C' ' 5' ' ' THR . 59.8 tp -61.62 -44.31 97.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.141 -0.974 . . . . 0.0 108.882 178.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.49 -39.92 95.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 0.0 109.622 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.96 87.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.007 -1.058 . . . . 0.0 108.41 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.487 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -68.05 -48.25 54.82 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.14 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.507 -0.996 . . . . 0.0 109.167 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.03 -45.78 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 108.686 179.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.43 -40.43 96.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.02 -41.35 91.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.118 -0.989 . . . . 0.0 109.283 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.99 -41.91 93.08 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.068 -1.02 . . . . 0.0 109.157 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.38 -44.07 96.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.217 -0.927 . . . . 0.0 109.214 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.42 -40.82 95.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.147 -0.971 . . . . 0.0 109.007 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.0 -40.47 94.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.817 . . . . 0.0 109.003 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.03 -48.65 80.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 0.0 109.981 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.99 -40.96 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 108.943 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.92 -49.44 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.0 108.59 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -61.12 -40.53 94.12 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.678 -0.639 . . . . 0.0 109.795 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.172 -0.955 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -60.04 -45.03 94.18 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.115 -0.99 . . . . 0.0 108.881 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.48 -45.15 94.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.999 -1.063 . . . . 0.0 109.044 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.15 -41.87 93.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.433 -0.792 . . . . 0.0 109.535 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.799 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.087 -1.008 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.472 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -61.36 -41.79 97.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 109.536 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.9 p -63.19 -40.18 96.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.441 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.07 -39.96 84.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.266 -0.896 . . . . 0.0 109.006 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.98 -43.33 95.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 0.0 110.261 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -48.08 87.77 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -50.04 75.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -1.202 . . . . 0.0 110.245 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.48 -40.01 89.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.047 -1.033 . . . . 0.0 110.656 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.919 -1.113 . . . . 0.0 109.624 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.6 -39.93 89.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.042 -1.036 . . . . 0.0 109.155 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.09 -41.22 92.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 0.0 109.803 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.22 -41.21 92.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.876 -1.14 . . . . 0.0 108.52 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.476 HH21 ' ND2' ' A' ' 82' ' ' ASN . 87.3 mtt180 -66.01 -40.01 90.75 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.125 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.59 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.45 -0.781 . . . . 0.0 109.343 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -59.91 -40.05 87.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.997 -1.064 . . . . 0.0 109.148 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.88 82.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 109.553 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.72 -41.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 0.0 111.057 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.31 -40.04 94.99 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.539 -1.351 . . . . 0.0 108.553 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.0 -45.24 93.39 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 118.952 -1.099 . . . . 0.0 108.205 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 35.7 m-85 -62.69 -40.06 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.603 178.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.58 -39.31 83.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.923 -1.111 . . . . 0.0 108.913 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.816 -1.178 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.97 -39.4 85.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.162 -0.961 . . . . 0.0 109.115 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.71 -39.91 86.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.07 -1.019 . . . . 0.0 109.148 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.92 79.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.766 -1.209 . . . . 0.0 108.238 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.92 -40.0 87.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.125 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.48 116.17 8.72 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -133.64 -57.33 0.89 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.435 -0.791 . . . . 0.0 110.793 -178.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.843 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.53 114.99 3.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.084 -1.01 . . . . 0.0 110.598 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.871 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 74.6 m95 -101.5 129.02 47.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.509 -0.745 . . . . 0.0 109.47 179.111 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 68.95 17.46 71.63 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.783 178.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.12 24.6 0.13 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.668 -1.49 . . . . 0.0 109.135 -179.522 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.38 111.21 2.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.366 -0.834 . . . . 0.0 109.266 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.506 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.1 m-85 -120.2 11.39 11.57 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.45 -0.781 . . . . 0.0 110.284 179.057 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.48 24.44 1.91 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 177.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.483 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.4 mt-30 -144.86 152.0 39.6 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -104.24 57.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 108.469 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.72 42.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.529 -0.732 . . . . 0.0 109.797 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.83 133.23 46.81 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.559 HG23 ' O ' ' C' ' 68' ' ' THR . 7.5 t -92.81 114.71 27.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 0.0 109.733 -178.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.572 HG23 ' O ' ' C' ' 69' ' ' THR . 11.8 t -109.97 120.25 41.86 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -121.74 83.81 42.92 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.436 -0.79 . . . . 0.0 109.084 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.11 63.82 6.98 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.497 2.131 . . . . 0.0 111.274 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.415 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 29.6 t90 -68.84 136.74 89.96 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.415 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.6 Cg_exo -39.85 149.51 0.12 Allowed 'Trans proline' 0 N--CA 1.486 1.07 0 C-N-CA 121.44 1.427 . . . . 0.0 111.176 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 53.7 t-20 -128.86 -59.03 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.415 -0.803 . . . . 0.0 108.926 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.19 127.9 40.3 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p -80.01 110.35 15.31 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.836 -1.165 . . . . 0.0 107.951 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.94 136.04 37.13 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.68 0.752 . . . . 0.0 109.791 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.623 HG23 ' O ' ' C' ' 78' ' ' THR . 9.1 t -91.59 116.03 65.66 Favored Pre-proline 0 N--CA 1.49 1.568 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -89.76 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.361 1.374 . . . . 0.0 114.216 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.41 -42.33 2.35 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.1 p90 -59.71 -48.73 80.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.36 -1.462 . . . . 0.0 113.045 -175.188 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 11.4 m120 -73.36 -45.79 52.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 119.833 -1.792 . . . . 0.0 110.598 -179.304 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.1 -49.95 75.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.94 -1.1 . . . . 0.0 110.884 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.26 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.671 -1.268 . . . . 0.0 109.753 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 81' ' ' TRP . 75.6 p -70.11 -39.92 75.2 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.02 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -69.1 -40.0 78.63 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.514 -178.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.36 -42.36 95.63 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.429 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.98 -41.3 97.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.317 -0.865 . . . . 0.0 108.881 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.5 t90 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.544 -0.723 . . . . 0.0 109.487 179.541 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.06 96.52 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.365 -0.834 . . . . 0.0 109.465 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.42 -41.97 99.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.208 -0.932 . . . . 0.0 110.37 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.88 -43.53 94.69 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.779 -1.201 . . . . 0.0 108.611 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.85 -42.11 91.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 94' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 61.8 t0 -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.504 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.99 -39.98 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.78 -1.2 . . . . 0.0 109.009 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.58 -43.78 92.76 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 109.684 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.37 -44.03 95.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.859 -1.15 . . . . 0.0 109.52 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.04 -40.24 92.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.3 -0.875 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -64.98 -40.02 94.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.854 . . . . 0.0 109.86 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.15 -40.14 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.0 -1.062 . . . . 0.0 109.684 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.0 p -62.48 -40.28 96.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.968 -1.083 . . . . 0.0 109.313 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.04 83.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.231 -0.918 . . . . 0.0 109.71 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.63 -39.97 94.64 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.13 -0.981 . . . . 0.0 109.741 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.8 -41.88 91.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.044 -1.035 . . . . 0.0 108.989 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -45.9 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.635 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.1 -39.98 90.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.258 -0.901 . . . . 0.0 109.017 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.96 97.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.297 -0.877 . . . . 0.0 109.354 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.02 -49.91 75.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.13 -50.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.13 -0.981 . . . . 0.0 109.012 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.75 -40.13 91.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.465 -0.772 . . . . 0.0 110.024 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.96 -45.96 90.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 109.858 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.23 -40.05 90.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.98 -1.075 . . . . 0.0 109.529 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -65.68 -40.09 91.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.084 -1.01 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -62.41 -41.78 98.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.794 -1.192 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.82 -40.07 79.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.942 . . . . 0.0 109.318 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.26 -41.85 94.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.417 -0.802 . . . . 0.0 109.603 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 118' ' ' LEU . . . . . 0.472 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 53.7 tp -60.01 -40.84 90.62 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.54 -39.78 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.419 -0.801 . . . . 0.0 109.509 179.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.96 -34.85 73.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -178.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 121' ' ' LEU . 86.3 mt -56.71 -47.48 79.84 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.897 -1.127 . . . . 0.0 108.306 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 122' ' ' ASN . . . . . 0.816 ' H ' HH12 ' C' ' 4' ' ' ARG . 50.2 t30 -129.78 61.46 1.56 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.318 -0.864 . . . . 0.0 108.863 178.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.213 179.769 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -77.02 145.37 38.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.306 -0.872 . . . . 0.0 109.773 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.02 60.43 4.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.956 . . . . 0.0 109.193 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -66.18 -39.61 89.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.427 -0.796 . . . . 0.0 109.037 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.93 -42.38 93.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.139 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' N ' HG23 ' A' ' 5' ' ' THR . 59.8 tp -60.09 -44.53 94.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 108.844 179.142 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.09 -39.77 87.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.554 -0.716 . . . . 0.0 109.683 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.02 87.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.044 -1.035 . . . . 0.0 108.592 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.2 -47.02 55.42 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.06 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -1.1 . . . . 0.0 109.911 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.19 -41.44 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.35 -40.87 92.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.11 -40.75 90.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.272 -0.893 . . . . 0.0 109.666 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.07 -41.59 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.974 . . . . 0.0 109.285 -179.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.21 -40.9 95.69 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -0.976 . . . . 0.0 109.439 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 96.6 mt-30 -64.14 -40.06 95.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.51 -41.56 98.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.19 -0.944 . . . . 0.0 109.499 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 HD23 ' A' ' 104' ' ' LEU . 55.5 tp -60.85 -42.09 97.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.263 -0.898 . . . . 0.0 109.102 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.0 -46.98 87.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.156 -0.965 . . . . 0.0 110.105 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.8 t -59.99 -40.09 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.608 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.0 -43.85 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.197 -0.94 . . . . 0.0 108.835 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.17 -41.23 92.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.564 -0.71 . . . . 0.0 109.281 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HE ' HD11 ' B' ' 103' ' ' LEU . 52.4 mtt-85 -60.64 -39.95 90.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.125 -0.984 . . . . 0.0 108.6 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.95 -47.33 86.24 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.094 -1.004 . . . . 0.0 109.313 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.01 -41.27 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.016 -1.053 . . . . 0.0 109.675 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.27 -40.01 94.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.177 -0.952 . . . . 0.0 109.244 179.567 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.04 -40.29 88.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 108.934 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.44 -40.45 91.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.1 mt -63.45 -40.69 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.967 -1.083 . . . . 0.0 109.325 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -64.05 -40.05 95.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.105 -0.997 . . . . 0.0 109.185 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 54.4 t -60.53 -40.03 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.393 -0.817 . . . . 0.0 109.278 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.11 -40.75 90.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.226 -0.921 . . . . 0.0 109.639 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.7 97.0 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.85 -1.382 . . . . 0.0 109.324 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.3 mttp -61.36 -39.95 92.49 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.421 178.627 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -59.93 -40.46 88.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.433 -0.792 . . . . 0.0 109.697 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 38' ' ' LEU . 87.8 mt -60.09 -40.06 88.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.934 -1.104 . . . . 0.0 108.782 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.99 -39.52 85.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.431 -0.793 . . . . 0.0 108.862 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.7 p -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.746 -1.221 . . . . 0.0 108.897 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.6 mtt-85 -62.86 -40.04 96.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.684 -1.26 . . . . 0.0 108.397 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.64 -41.11 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.626 -0.671 . . . . 0.0 109.726 -179.579 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -59.93 -40.03 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.898 -1.126 . . . . 0.0 109.334 -179.51 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.84 85.23 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.116 -0.99 . . . . 0.0 108.708 179.066 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.68 -39.94 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.752 -0.592 . . . . 0.0 109.805 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 8.0 mm-40 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 108.691 -179.047 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.33 -45.41 94.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.485 -0.759 . . . . 0.0 109.567 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.1 m-85 -64.73 -39.99 94.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 HE22 ' C' ' 52' ' ' GLN . 83.5 mt -59.95 -39.94 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.952 -1.093 . . . . 0.0 108.924 -179.597 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.142 . . . . 0.0 108.649 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.01 -41.17 91.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.556 -0.715 . . . . 0.0 109.776 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.417 HE22 HD22 ' B' ' 49' ' ' LEU . 25.3 mt-30 -60.89 -39.93 91.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.195 -0.941 . . . . 0.0 109.835 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -57.82 -38.5 75.69 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.819 -1.176 . . . . 0.0 107.885 179.323 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -59.98 -37.85 80.84 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.5 mt -67.34 117.27 9.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.497 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 26.6 m120 -132.94 -56.25 0.93 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.82 . . . . 0.0 110.693 -179.26 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.834 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.36 114.96 3.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.974 -1.079 . . . . 0.0 110.894 -178.613 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.821 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 79.4 m95 -102.3 128.98 48.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.418 -0.801 . . . . 0.0 109.5 178.754 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 69.67 19.1 74.56 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.552 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.18 22.94 0.11 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.303 . . . . 0.0 109.25 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.3 107.8 1.61 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 179.158 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -108.1 12.18 27.01 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.248 -0.908 . . . . 0.0 110.543 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.647 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 57.2 mtp180 -139.86 24.0 2.41 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.028 -1.045 . . . . 0.0 108.931 177.393 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.47 152.75 34.73 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -102.94 62.78 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.1 -1.0 . . . . 0.0 109.234 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.06 156.7 42.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 109.745 179.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -131.35 133.54 45.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.326 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.44 115.8 28.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.699 -1.25 . . . . 0.0 108.853 -179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 69' ' ' THR . 11.9 t -109.61 121.08 44.42 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.497 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 98.3 t -123.43 85.07 52.42 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.311 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.91 65.08 4.49 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.2 2.6 . . . . 0.0 112.515 -179.659 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.41 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.3 t90 -69.12 140.23 90.7 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 9.8 Cg_endo -53.05 147.37 34.18 Favored 'Trans proline' 0 C--N 1.315 -1.227 0 CA-C-N 120.133 1.083 . . . . 0.0 110.197 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 8.6 t-20 -132.11 -32.19 1.41 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.903 0.859 . . . . 0.0 108.885 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -93.29 122.54 35.79 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.447 ' HG ' ' HH ' ' C' ' 48' ' ' TYR . 1.6 m -86.06 101.03 12.59 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.487 0.66 . . . . 0.0 109.561 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 78' ' ' THR . 12.2 t -96.51 112.26 59.54 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -91.05 -48.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.214 0 C-N-CA 121.455 1.436 . . . . 0.0 114.124 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.33 -44.94 2.24 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.1 p90 -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.155 -1.591 . . . . 0.0 112.379 -175.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.2 OUTLIER -79.26 -37.8 37.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.079 -1.638 . . . . 0.0 109.709 -179.556 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.97 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.193 -0.942 . . . . 0.0 109.777 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.98 -40.93 97.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.897 -1.127 . . . . 0.0 109.364 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 81' ' ' TRP . 82.1 p -67.52 -40.06 85.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.157 -0.964 . . . . 0.0 109.445 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 54.1 t-105 -63.81 -39.99 95.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.025 . . . . 0.0 109.316 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.22 -40.48 90.29 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.046 -1.033 . . . . 0.0 109.132 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.54 -40.76 92.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.026 -1.046 . . . . 0.0 108.759 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.438 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.2 t90 -60.04 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.199 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.39 -42.35 98.58 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 179.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' A' ' 91' ' ' ARG . 42.6 mtt-85 -61.73 -40.19 94.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.22 -42.83 99.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.738 -1.226 . . . . 0.0 109.575 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.16 -40.48 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.041 -1.037 . . . . 0.0 108.719 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -60.72 -43.16 98.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.477 -0.764 . . . . 0.0 110.532 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.61 -39.96 80.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.809 -1.182 . . . . 0.0 109.725 -179.359 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.03 -40.27 82.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.162 -0.961 . . . . 0.0 108.867 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.04 -48.32 82.2 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.355 -0.841 . . . . 0.0 109.17 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.08 -42.23 94.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.348 -0.845 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -63.28 -40.04 96.28 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.35 -0.844 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.39 -40.43 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -61.43 -41.34 97.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.05 75.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 109.446 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' C' ' 23' ' ' ARG . 92.1 mt -61.12 -42.9 99.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.042 -1.036 . . . . 0.0 109.463 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 18' ' ' LEU . 85.1 mt -60.06 -47.38 86.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.175 -0.953 . . . . 0.0 108.642 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -49.59 77.08 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.086 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.83 -41.9 96.67 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.33 97.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 110.074 -179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.16 -43.85 98.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 109.53 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.13 -50.01 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.299 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.03 94.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 0.0 110.057 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.145 -0.972 . . . . 0.0 109.762 -179.53 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.87 -40.0 95.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.08 -1.013 . . . . 0.0 109.589 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.44 -40.07 95.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.204 -0.935 . . . . 0.0 109.795 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.28 -42.8 99.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp -67.72 -39.98 84.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.053 -1.03 . . . . 0.0 108.405 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -60.07 -49.84 76.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.26 -40.06 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.095 -1.003 . . . . 0.0 108.949 179.178 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.96 -40.91 90.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.84 . . . . 0.0 109.467 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.05 -40.59 89.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.099 -1.001 . . . . 0.0 109.682 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -60.13 -39.97 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.046 -1.034 . . . . 0.0 109.796 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -47.96 81.29 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -125.98 62.85 1.24 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.501 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -76.87 145.29 38.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.864 . . . . 0.0 109.731 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -90.01 60.65 4.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 109.154 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.28 -39.63 89.54 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.43 -0.794 . . . . 0.0 109.048 179.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.0 t -60.07 -42.29 94.23 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 109.142 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' B' ' 5' ' ' THR . 59.3 tp -60.04 -44.69 94.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 108.79 179.123 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.373 -0.829 . . . . 0.0 109.602 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.0 85.92 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.022 -1.049 . . . . 0.0 108.71 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.83 55.31 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -49.93 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -1.075 . . . . 0.0 109.942 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.36 -41.73 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 109.503 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.08 -40.96 91.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.204 -0.935 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.06 -40.52 89.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 0.0 109.769 -179.618 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 109.41 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.26 -40.5 94.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.414 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.416 ' NE2' ' OE1' ' C' ' 110' ' ' GLN . 96.1 mt-30 -64.51 -39.98 94.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.59 -41.6 98.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 0.0 109.474 179.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.466 HD11 HD23 ' B' ' 104' ' ' LEU . 55.5 tp -60.66 -42.09 96.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.368 -0.833 . . . . 0.0 109.2 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.16 -46.78 88.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.061 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -60.11 -40.1 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.077 -1.015 . . . . 0.0 109.478 -179.338 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.04 -44.05 93.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.218 -0.926 . . . . 0.0 108.937 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -41.22 91.87 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.539 -0.726 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.44 ' HE ' HD11 ' C' ' 103' ' ' LEU . 51.7 mtt-85 -60.61 -40.02 90.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 109.941 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.651 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.89 -47.44 85.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.185 -0.947 . . . . 0.0 109.229 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.89 -41.25 99.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.014 -1.054 . . . . 0.0 109.738 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.1 tp -62.33 -40.02 95.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 109.304 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.02 -40.52 89.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.154 -0.967 . . . . 0.0 109.111 179.007 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.1 -40.92 91.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.9 mt -63.01 -40.92 99.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.895 -1.128 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.1 p -63.93 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.527 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 54.4 t -60.63 -40.01 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.307 -0.871 . . . . 0.0 109.295 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -60.02 -40.79 90.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.488 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.65 97.04 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.563 -1.303 . . . . 0.0 109.969 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.09 -49.96 75.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.852 -1.381 . . . . 0.0 109.234 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.527 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.4 mttp -61.33 -40.01 92.65 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.26 -0.9 . . . . 0.0 109.523 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -60.0 -40.44 89.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.42 -0.8 . . . . 0.0 109.68 -178.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.922 -1.111 . . . . 0.0 108.875 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.04 -39.47 86.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 45.1 p -59.93 -41.61 92.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.69 -1.256 . . . . 0.0 108.906 -179.339 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.578 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.5 mtt-85 -63.07 -39.97 96.29 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.457 -1.297 . . . . 0.0 108.34 178.335 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.59 -41.07 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.52 -0.737 . . . . 0.0 109.814 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.0 p -59.99 -39.97 87.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.97 -1.081 . . . . 0.0 109.27 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.61 85.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 108.745 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.84 -39.98 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.635 -0.665 . . . . 0.0 109.702 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.486 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 8.0 mm-40 -59.97 -40.07 87.84 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.155 -0.966 . . . . 0.0 108.654 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.41 -45.25 95.11 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.696 -0.801 . . . . 0.0 109.548 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.7 m-85 -64.72 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.417 HD22 HE22 ' A' ' 52' ' ' GLN . 83.6 mt -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.975 -1.078 . . . . 0.0 108.839 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -62.84 -39.99 96.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.815 -1.178 . . . . 0.0 108.665 178.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.0 -41.05 91.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.507 -0.746 . . . . 0.0 109.85 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.413 ' CD ' ' OE1' ' A' ' 52' ' ' GLN . 25.4 mt-30 -60.92 -39.95 91.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.773 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -57.75 -38.41 75.32 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 120.838 -1.164 . . . . 0.0 107.877 179.452 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.05 -37.64 80.44 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.015 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 mt -67.64 117.16 9.19 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.491 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 26.8 m120 -132.88 -56.27 0.93 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.418 -0.801 . . . . 0.0 110.563 -179.1 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.821 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.39 114.97 3.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 110.958 -178.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.797 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 79.3 m95 -102.21 129.44 48.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.435 -0.791 . . . . 0.0 109.394 178.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.03 19.61 73.94 Favored Glycine 0 N--CA 1.492 2.413 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.392 179.159 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.559 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.64 22.64 0.13 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.892 -1.358 . . . . 0.0 109.262 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.9 108.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.391 179.089 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -108.26 12.15 26.74 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.205 -0.934 . . . . 0.0 110.516 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.614 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 57.5 mtp180 -139.85 24.0 2.41 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.912 -1.117 . . . . 0.0 108.877 177.414 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.42 152.69 34.7 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.95 62.9 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.09 -1.006 . . . . 0.0 109.25 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.06 156.7 42.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.349 -0.844 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -131.33 133.58 45.48 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.4 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -91.52 115.7 28.26 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.708 -1.245 . . . . 0.0 108.845 -179.879 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 69' ' ' THR . 11.9 t -109.51 121.13 44.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.63 -0.669 . . . . 0.0 109.247 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.491 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 97.5 t -123.53 85.06 52.81 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.276 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.94 65.25 4.45 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 123.182 2.588 . . . . 0.0 112.507 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.412 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 12.7 t90 -69.15 140.35 90.72 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.532 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.409 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 9.7 Cg_endo -53.18 147.39 35.32 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 CA-C-N 120.232 1.119 . . . . 0.0 110.154 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 8.8 t-20 -132.26 -31.93 1.4 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.319 -0.863 . . . . 0.0 108.798 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -93.41 122.73 36.13 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -86.32 100.85 12.58 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 mt -84.61 133.44 34.42 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.498 0.666 . . . . 0.0 109.539 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.679 HG23 ' O ' ' B' ' 78' ' ' THR . 12.4 t -96.25 112.48 59.9 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -91.07 -49.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.52 1.48 . . . . 0.0 114.104 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -122.03 -45.01 2.27 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.663 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.1 p90 -59.82 -52.89 63.54 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.162 -1.586 . . . . 0.0 112.389 -175.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.663 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 14.2 t-20 -79.18 -37.73 37.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 119.933 -1.729 . . . . 0.0 109.649 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' B' ' 78' ' ' THR . 17.4 m120 -60.02 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.12 -0.988 . . . . 0.0 109.795 -179.514 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.14 -41.0 97.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.921 -1.112 . . . . 0.0 109.281 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.616 HG23 ' O ' ' B' ' 81' ' ' TRP . 82.6 p -67.55 -39.93 84.96 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.179 -0.951 . . . . 0.0 109.385 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 54.2 t-105 -63.74 -40.0 95.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.97 -1.081 . . . . 0.0 109.35 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.23 -40.57 90.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.955 -1.09 . . . . 0.0 108.994 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -40.95 92.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.76 178.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.453 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 56.5 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.367 -0.833 . . . . 0.0 109.185 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.43 -42.2 98.38 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.211 -0.931 . . . . 0.0 109.767 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' B' ' 91' ' ' ARG . 43.1 mtt-85 -61.62 -40.68 95.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 110.616 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.83 -42.75 98.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.682 -1.261 . . . . 0.0 109.672 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.49 -40.39 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.04 -1.037 . . . . 0.0 108.66 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.63 -43.24 97.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.51 -0.744 . . . . 0.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.46 -40.1 81.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.864 -1.147 . . . . 0.0 109.637 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -40.0 83.04 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.92 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.01 -48.52 81.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.286 -0.884 . . . . 0.0 109.111 179.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.03 -42.21 93.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.175 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -63.56 -40.05 95.98 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.222 -0.924 . . . . 0.0 109.461 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.1 -40.54 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 109.202 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 -41.1 96.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.082 -1.011 . . . . 0.0 109.666 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.57 77.12 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.121 -0.987 . . . . 0.0 109.584 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.478 HD11 ' HE ' ' A' ' 23' ' ' ARG . 90.1 mt -61.68 -42.73 99.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.466 HD23 HD11 ' B' ' 18' ' ' LEU . 85.3 mt -60.12 -47.43 85.93 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.557 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -49.49 77.46 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.418 -0.801 . . . . 0.0 109.078 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.75 -41.81 96.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.507 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.22 99.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 0.0 110.065 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.14 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.983 -1.073 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.314 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.456 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 28.6 mt-30 -65.24 -40.06 93.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.03 -49.63 76.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 0.0 109.813 -179.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.01 -40.12 95.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.006 -1.059 . . . . 0.0 109.561 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.33 -40.07 95.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.898 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.39 -42.59 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.035 -1.04 . . . . 0.0 109.95 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp -68.01 -40.06 83.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 108.417 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.545 -0.722 . . . . 0.0 109.205 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.116 -0.99 . . . . 0.0 109.009 179.218 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -40.85 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.435 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.0 mt-30 -60.05 -40.76 90.56 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.089 -1.007 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.094 -1.004 . . . . 0.0 109.698 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.0 -47.86 81.77 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -126.01 63.03 1.24 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.288 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -76.83 145.29 38.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.36 -0.838 . . . . 0.0 109.808 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.09 60.61 4.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 109.165 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.403 ' NH1' ' O ' ' C' ' 121' ' ' LEU . 97.0 mtt180 -66.13 -39.86 90.19 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.0 t -59.88 -42.43 93.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.29 -0.881 . . . . 0.0 109.113 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' C' ' 5' ' ' THR . 59.5 tp -60.03 -44.6 94.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.713 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.05 -39.85 87.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.816 . . . . 0.0 109.631 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.987 -1.07 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.23 -46.98 55.39 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 178.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.356 -1.085 . . . . 0.0 109.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.35 -41.62 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.413 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.06 -40.71 90.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.03 -41.73 92.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.091 -1.005 . . . . 0.0 109.248 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.09 -40.94 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.448 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.98 -40.26 95.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.641 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -63.45 -41.46 98.65 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.189 -0.945 . . . . 0.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.479 HD11 HD23 ' C' ' 104' ' ' LEU . 55.1 tp -60.79 -42.05 96.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.154 -0.966 . . . . 0.0 109.315 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.97 -47.04 87.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 0.0 110.037 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.0 -40.12 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 109.65 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -43.96 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.279 -0.888 . . . . 0.0 108.803 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.06 -41.29 92.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.596 -0.69 . . . . 0.0 109.234 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' A' ' 103' ' ' LEU . 52.5 mtt-85 -60.59 -39.99 90.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 109.915 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.05 -39.87 87.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.118 -0.989 . . . . 0.0 108.623 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -60.07 -46.84 88.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.354 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.9 98.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.179 -0.951 . . . . 0.0 109.27 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.01 -40.42 89.19 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.029 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.438 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -63.11 -41.09 99.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -63.91 -40.01 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.165 -0.96 . . . . 0.0 109.252 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 32' ' ' VAL . . . . . 0.535 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 54.3 t -60.35 -40.15 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.326 -0.859 . . . . 0.0 109.294 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.92 -40.84 90.22 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.237 -0.915 . . . . 0.0 109.646 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.69 96.87 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.587 -1.292 . . . . 0.0 109.954 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.03 -50.06 75.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.971 -1.311 . . . . 0.0 109.269 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 36' ' ' LYS . . . . . 0.535 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.48 -40.11 93.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.807 . . . . 0.0 109.415 178.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.729 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.2 OUTLIER -59.98 -40.27 88.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.655 -178.829 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' C' ' 38' ' ' LEU . 88.5 mt -60.19 -40.07 88.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.91 -1.119 . . . . 0.0 108.779 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.95 -39.55 85.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.33 -0.856 . . . . 0.0 108.893 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 -41.65 92.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.761 -1.212 . . . . 0.0 108.864 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.609 HH22 ' CG ' ' A' ' 82' ' ' ASN . 47.2 mtt-85 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.59 -1.319 . . . . 0.0 108.474 178.193 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.66 -41.16 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 -179.561 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.1 p -59.9 -40.07 87.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.876 -1.14 . . . . 0.0 109.218 -179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.66 85.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.84 -39.99 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 0.0 109.782 179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.481 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 8.0 mm-40 -60.05 -40.04 88.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.169 -0.957 . . . . 0.0 108.604 -179.097 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.34 -45.35 94.78 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.415 -0.803 . . . . 0.0 109.595 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.403 HD22 HE22 ' B' ' 52' ' ' GLN . 83.7 mt -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.911 -1.118 . . . . 0.0 108.844 -179.625 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.59 -40.05 95.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.809 -1.182 . . . . 0.0 108.803 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.03 -41.1 91.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.557 -0.714 . . . . 0.0 109.82 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.407 ' OE1' ' CD ' ' A' ' 52' ' ' GLN . 25.5 mt-30 -60.9 -40.05 91.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -0.972 . . . . 0.0 109.746 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -57.69 -38.51 75.31 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.875 -1.141 . . . . 0.0 107.968 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 56.0 tt0 -59.99 -37.97 81.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.107 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.4 117.07 8.88 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.503 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 27.1 m120 -132.9 -56.36 0.93 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.372 -0.83 . . . . 0.0 110.649 -179.157 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.797 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.17 114.99 3.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.877 -1.14 . . . . 0.0 111.027 -178.678 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.834 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 79.4 m95 -102.25 129.32 48.63 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.496 -0.752 . . . . 0.0 109.427 178.788 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 69.35 19.34 74.23 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.154 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.549 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.43 22.81 0.12 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.935 -1.332 . . . . 0.0 109.275 -179.511 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.17 107.87 1.64 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.185 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -108.04 11.96 27.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.159 -0.963 . . . . 0.0 110.481 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.647 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 57.4 mtp180 -139.88 24.37 2.39 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.903 -1.123 . . . . 0.0 108.981 177.408 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.75 152.51 33.97 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.04 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.81 63.03 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.095 -1.003 . . . . 0.0 109.157 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 156.74 42.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 109.703 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -131.45 133.62 45.36 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.326 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.73 115.66 28.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.727 -1.233 . . . . 0.0 108.877 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 69' ' ' THR . 12.2 t -109.57 121.17 44.61 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.083 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.503 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 98.3 t -123.44 85.1 52.47 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.11 65.17 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 123.169 2.58 . . . . 0.0 112.435 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.417 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 12.8 t90 -69.11 140.17 90.69 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.42 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.411 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 9.7 Cg_endo -53.08 147.41 34.35 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 CA-C-N 120.218 1.114 . . . . 0.0 110.259 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 8.8 t-20 -132.26 -32.01 1.4 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.32 -0.862 . . . . 0.0 108.825 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 75' ' ' ALA . . . . . 0.481 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -93.35 122.51 35.83 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -86.15 101.1 12.69 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.69 133.53 34.38 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.48 0.657 . . . . 0.0 109.5 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.681 HG23 ' O ' ' C' ' 78' ' ' THR . 12.2 t -96.47 112.26 59.48 Favored Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.97 -48.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.421 1.414 . . . . 0.0 114.217 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.35 -44.77 2.24 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.1 p90 -60.01 -52.96 63.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.153 -1.592 . . . . 0.0 112.333 -175.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 14.8 t-20 -79.05 -37.84 37.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 119.973 -1.705 . . . . 0.0 109.745 -179.443 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 83' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' C' ' 78' ' ' THR . 17.4 m120 -59.91 -48.44 81.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.791 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.93 -41.0 97.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.106 -0.996 . . . . 0.0 109.331 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.63 HG23 ' O ' ' C' ' 81' ' ' TRP . 82.6 p -67.6 -40.01 84.77 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -63.79 -40.01 95.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.988 -1.07 . . . . 0.0 109.316 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.09 -40.8 90.85 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.921 -1.112 . . . . 0.0 109.002 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.24 -40.79 91.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 178.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.6 t90 -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.586 -0.696 . . . . 0.0 109.287 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.37 -42.47 98.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 91' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' C' ' 91' ' ' ARG . 42.2 mtt-85 -61.46 -40.55 94.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.908 . . . . 0.0 110.687 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -42.68 98.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.582 -1.324 . . . . 0.0 109.614 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -40.66 86.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.068 -1.02 . . . . 0.0 108.61 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.53 -43.23 97.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.4 -0.812 . . . . 0.0 110.635 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.5 -40.05 81.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.766 -1.209 . . . . 0.0 109.741 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.03 -40.22 82.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.13 -0.981 . . . . 0.0 108.868 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.09 -48.31 82.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 109.205 179.267 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.23 -39.99 96.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.412 -0.805 . . . . 0.0 109.371 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -68.62 -40.23 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 109.24 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -61.72 -41.07 97.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.053 -1.029 . . . . 0.0 109.616 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.94 75.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.186 -0.946 . . . . 0.0 109.503 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.44 HD11 ' HE ' ' B' ' 23' ' ' ARG . 90.4 mt -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.193 -0.942 . . . . 0.0 109.495 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.479 HD23 HD11 ' C' ' 18' ' ' LEU . 85.5 mt -60.08 -47.38 86.14 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.079 -1.013 . . . . 0.0 108.631 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -49.89 75.9 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 108.998 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -42.53 95.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 109.38 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.84 95.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 110.152 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.74 -44.12 97.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 109.46 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.98 -50.0 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.19 -0.944 . . . . 0.0 109.345 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 110' ' ' GLN . . . . . 0.416 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 28.6 mt-30 -65.05 -40.06 94.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.0 110.031 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -60.04 -49.71 76.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.226 -0.921 . . . . 0.0 109.611 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.13 -39.99 95.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.537 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.55 -39.99 95.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 109.769 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.33 -42.51 99.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.995 -1.066 . . . . 0.0 110.056 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.97 -40.07 83.22 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.098 -1.002 . . . . 0.0 108.304 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.04 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 0.0 109.073 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.23 -39.92 88.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.243 -0.91 . . . . 0.0 109.053 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -40.65 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.386 -0.821 . . . . 0.0 109.467 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -60.18 -40.77 91.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 109.607 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -59.93 -39.68 86.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.141 -0.974 . . . . 0.0 109.936 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.403 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 94.0 mt -58.24 -47.9 82.09 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -126.06 63.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.501 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.99 145.3 36.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.507 -0.746 . . . . 0.0 109.422 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -88.3 62.81 6.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -62.86 -40.41 97.39 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.659 -0.651 . . . . 0.0 109.558 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.7 t -60.48 -42.54 96.49 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.158 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.514 ' N ' HG23 ' A' ' 5' ' ' THR . 59.1 tp -62.86 -42.52 99.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.337 -0.852 . . . . 0.0 109.141 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.05 -39.61 90.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.392 -0.818 . . . . 0.0 109.658 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.43 88.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 0.0 108.642 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.32 -46.29 64.81 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -48.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.466 -1.02 . . . . 0.0 109.478 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.05 -45.86 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.93 -39.94 91.35 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.022 -1.049 . . . . 0.0 109.553 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.78 -41.13 90.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -0.963 . . . . 0.0 109.604 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.914 -1.116 . . . . 0.0 109.436 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.03 -42.92 99.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.136 -0.977 . . . . 0.0 108.775 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.74 -42.03 98.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.302 -0.874 . . . . 0.0 109.256 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.93 -40.83 95.66 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.118 -0.988 . . . . 0.0 109.125 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -43.78 94.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -47.94 83.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.278 -0.889 . . . . 0.0 109.875 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG13 HG23 ' B' ' 100' ' ' ILE . 78.3 t -60.5 -41.1 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.175 -0.953 . . . . 0.0 109.559 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -45.49 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.248 -0.908 . . . . 0.0 109.018 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.66 -42.21 96.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.673 -0.642 . . . . 0.0 109.669 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' A' ' 23' ' ' ARG . 48.9 mtt-85 -60.55 -39.95 89.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.632 -0.668 . . . . 0.0 109.774 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -59.79 -39.82 86.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 108.72 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.09 -48.18 82.79 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 108.822 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.66 -41.18 98.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD23 HD13 ' B' ' 28' ' ' LEU . 22.9 tp -62.01 -40.15 94.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 108.989 179.72 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 HD23 ' C' ' 27' ' ' LEU . 19.3 mt -60.31 -40.21 89.76 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.58 -0.7 . . . . 0.0 109.36 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.52 -40.21 90.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.2 mt -62.19 -41.2 98.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.159 -0.963 . . . . 0.0 109.33 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.6 p -64.35 -40.06 95.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.275 -0.891 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.2 -40.5 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.0 108.948 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.05 -41.44 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.173 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -47.53 90.53 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -60.07 -49.38 77.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.265 . . . . 0.0 109.498 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -60.94 -40.05 91.81 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.352 -0.843 . . . . 0.0 109.763 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.581 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -60.01 -40.36 88.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.635 -179.718 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.09 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.96 -40.23 88.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 109.575 -179.541 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.2 p -59.98 -40.45 89.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.739 -1.225 . . . . 0.0 108.798 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 29.7 mtt-85 -63.98 -40.0 95.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 108.485 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.09 -41.65 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.083 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -61.14 -40.03 92.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.991 -1.068 . . . . 0.0 110.017 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.31 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.085 -1.634 . . . . 0.0 108.999 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.02 -39.87 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.597 -0.689 . . . . 0.0 109.86 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -39.72 87.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 0.0 108.896 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.34 -41.29 93.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.113 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 46.6 m-85 -67.17 -38.79 86.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.861 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.92 -40.0 87.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.824 -1.172 . . . . 0.0 108.701 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -60.2 -39.77 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.692 -1.255 . . . . 0.0 108.354 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 57.9 t0 -60.08 -39.89 87.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.297 -0.877 . . . . 0.0 108.786 178.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 5.6 tm0? -59.94 -39.84 86.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.28 -0.888 . . . . 0.0 108.864 -179.45 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -59.8 -36.43 76.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.999 -1.063 . . . . 0.0 108.672 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.96 -39.31 85.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.262 -0.899 . . . . 0.0 109.562 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -75.34 114.59 14.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.979 -1.076 . . . . 0.0 109.355 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -134.43 -70.15 0.51 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.427 -0.796 . . . . 0.0 109.813 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.67 87.71 1.72 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 108.782 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.4 ' C ' ' H ' ' A' ' 60' ' ' ALA . 62.9 m95 -105.36 147.45 28.17 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.477 -0.765 . . . . 0.0 110.753 -179.348 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 62.85 5.19 8.59 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.344 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.51 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -74.15 23.56 0.08 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.737 -0.861 . . . . 0.0 109.033 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.57 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -157.0 114.96 3.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.447 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.92 12.59 20.8 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.196 -0.94 . . . . 0.0 110.729 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.502 ' CD ' HH21 ' C' ' 63' ' ' ARG . 62.6 mtt-85 -131.39 24.79 4.82 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.381 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.57 ' NE2' ' HB1' ' A' ' 61' ' ' ALA . 42.4 mt-30 -140.5 151.43 44.8 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.78 58.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.998 -1.063 . . . . 0.0 109.209 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.98 158.01 39.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.564 -0.71 . . . . 0.0 109.756 179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.64 134.49 49.64 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 68' ' ' THR . 4.7 t -97.62 120.25 37.66 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.129 -0.982 . . . . 0.0 110.697 -177.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 69' ' ' THR . 11.3 t -118.27 121.54 40.7 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.509 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -126.97 85.49 60.96 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.421 -0.799 . . . . 0.0 109.216 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -82.58 65.57 8.17 Favored 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.606 2.204 . . . . 0.0 112.007 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PRO . 26.8 t90 -69.9 134.94 87.68 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.463 -0.773 . . . . 0.0 109.088 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' TRP . 71.8 Cg_exo -39.47 149.04 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.542 1.495 . . . . 0.0 111.202 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 43.0 t30 -130.26 -60.06 1.02 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.596 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.76 125.49 34.46 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 t -80.09 112.37 17.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.931 -1.106 . . . . 0.0 108.306 -178.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.82 135.79 37.16 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.794 0.807 . . . . 0.0 109.955 -178.144 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 78' ' ' THR . 7.2 t -90.84 113.87 59.45 Favored Pre-proline 0 C--N 1.299 -1.606 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -91.88 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.511 1.474 . . . . 0.0 114.353 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -121.8 -43.78 2.35 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.106 -0.996 . . . . 0.0 113.336 -177.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.88 -48.08 83.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.684 -1.26 . . . . 0.0 112.78 -175.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.8 t30 -72.59 -46.82 52.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.091 -1.63 . . . . 0.0 110.177 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.0 -50.16 74.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 110.344 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.73 -45.63 93.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.917 -1.114 . . . . 0.0 109.362 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 81' ' ' TRP . 48.4 p -68.43 -40.02 81.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.087 -1.008 . . . . 0.0 109.767 -179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.5 -40.11 92.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.974 -1.079 . . . . 0.0 109.265 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.1 -41.41 92.48 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.546 -1.346 . . . . 0.0 108.505 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.17 -43.18 96.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.3 t90 -60.29 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.59 -41.6 98.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -63.43 -40.67 97.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.078 -1.014 . . . . 0.0 110.379 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.34 -42.78 96.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.667 -1.27 . . . . 0.0 108.618 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.43 -40.91 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.388 -0.82 . . . . 0.0 109.133 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.91 -48.16 82.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.043 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -60.29 -45.36 93.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.924 -1.11 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.251 -0.906 . . . . 0.0 108.853 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 101' ' ' THR . 86.2 tt0 -60.12 -47.63 85.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.303 -0.873 . . . . 0.0 109.423 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.62 -44.86 95.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.749 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.465 ' OD1' ' CZ ' ' C' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -40.97 96.75 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.591 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 HG13 ' C' ' 20' ' ' VAL . 83.0 mt -65.17 -40.91 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.977 -1.077 . . . . 0.0 109.418 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 97' ' ' GLU . 40.8 p -62.4 -40.71 97.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.091 -1.006 . . . . 0.0 109.141 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -48.02 82.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.455 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.05 -42.61 99.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.231 -0.918 . . . . 0.0 109.41 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.13 -46.1 91.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.867 . . . . 0.0 109.064 179.21 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.45 -49.44 77.57 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 109.199 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.58 -41.36 94.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.4 96.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.952 -1.093 . . . . 0.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.23 -47.45 85.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.18 -0.95 . . . . 0.0 109.243 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -49.7 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.237 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -65.59 -40.1 92.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.378 -0.826 . . . . 0.0 109.357 -179.623 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.07 -48.23 82.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.372 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.99 -41.34 96.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.415 -0.803 . . . . 0.0 109.262 179.59 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.59 -40.74 97.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.021 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -66.32 -42.71 87.84 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 109.48 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.77 -40.22 76.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.051 -1.031 . . . . 0.0 108.981 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -60.3 -48.0 83.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.628 -0.67 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.43 -40.19 93.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.586 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.12 -41.73 93.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.547 -0.72 . . . . 0.0 109.602 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -61.9 -39.97 93.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.528 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.03 -39.08 84.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -0.946 . . . . 0.0 109.121 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.17 -47.95 83.4 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.103 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -123.97 62.39 1.08 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.0 p . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.039 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.18 145.36 35.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.575 -0.703 . . . . 0.0 109.448 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -88.38 62.99 6.9 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.314 -0.866 . . . . 0.0 108.942 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -63.23 -40.22 96.83 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.5 -0.75 . . . . 0.0 109.352 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.3 t -60.35 -42.46 95.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.526 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -62.73 -42.79 99.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.481 -0.762 . . . . 0.0 109.014 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.06 -39.84 91.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.629 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.14 86.07 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.878 -1.139 . . . . 0.0 108.708 -179.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -46.58 61.22 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.02 -49.14 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.466 -1.02 . . . . 0.0 109.479 179.376 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.36 -45.43 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.957 -1.089 . . . . 0.0 109.585 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.57 -39.81 89.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.26 -41.1 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.246 -0.909 . . . . 0.0 109.498 -178.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.08 -40.74 96.85 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.932 -1.105 . . . . 0.0 109.576 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -61.02 -42.82 99.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 108.714 179.543 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.11 -42.39 99.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.395 -0.816 . . . . 0.0 109.137 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.41 -40.84 96.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.991 -1.068 . . . . 0.0 109.157 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.34 -43.51 96.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.812 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.33 -47.93 83.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.423 HG13 HG23 ' C' ' 100' ' ' ILE . 77.0 t -60.29 -41.29 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.947 . . . . 0.0 109.395 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.15 -45.93 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.33 -0.856 . . . . 0.0 109.172 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.24 -42.56 95.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.641 -0.662 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.45 ' CZ ' ' OD1' ' C' ' 99' ' ' ASN . 49.3 mtt-85 -60.45 -39.46 87.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.512 -0.743 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -40.05 87.81 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.81 -48.2 82.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.092 -1.005 . . . . 0.0 108.856 179.14 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.5 -41.13 98.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.162 -0.961 . . . . 0.0 109.69 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.435 HD23 HD13 ' C' ' 28' ' ' LEU . 23.0 tp -62.28 -39.96 94.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.053 179.616 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.41 HD13 HD23 ' A' ' 27' ' ' LEU . 19.5 mt -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.36 90.56 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.202 -0.936 . . . . 0.0 109.2 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -62.19 -41.12 98.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.959 -1.088 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.7 p -64.45 -40.02 94.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.431 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.98 -40.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.0 109.007 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.2 -40.97 91.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.174 -0.954 . . . . 0.0 109.933 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.38 91.24 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.427 -1.368 . . . . 0.0 109.711 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.07 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.876 -1.367 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.3 -39.78 88.14 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.334 -0.854 . . . . 0.0 109.607 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.542 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.3 OUTLIER -60.31 -39.99 88.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.087 -1.008 . . . . 0.0 109.791 -179.765 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 38' ' ' LEU . 86.2 mt -60.08 -39.94 87.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.874 -1.141 . . . . 0.0 109.071 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.07 -40.35 89.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.529 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 59.5 p -60.06 -40.28 88.93 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.744 -1.223 . . . . 0.0 108.814 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 29.4 mtt-85 -63.96 -40.16 95.79 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.89 -42.16 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.455 -0.778 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.2 p -60.48 -40.22 90.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.972 . . . . 0.0 109.976 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.62 82.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.241 -1.537 . . . . 0.0 109.122 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.98 -39.9 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.52 -0.738 . . . . 0.0 109.895 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -39.56 87.57 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.234 -0.916 . . . . 0.0 108.73 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.087 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -66.44 -39.17 88.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.98 -39.88 87.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.845 -1.159 . . . . 0.0 108.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.94 -39.87 87.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.617 -1.302 . . . . 0.0 108.136 178.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 51' ' ' ASP . 56.4 t0 -60.15 -39.84 87.77 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 5.6 tm0? -59.76 -39.76 85.89 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.381 -0.824 . . . . 0.0 108.984 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -59.94 -36.74 77.7 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.935 -1.103 . . . . 0.0 108.759 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.82 -39.82 86.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.356 -0.84 . . . . 0.0 109.437 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.59 114.26 12.8 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.648 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -134.36 -70.37 0.51 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.855 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.36 87.85 1.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.288 -0.883 . . . . 0.0 108.697 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.409 ' C ' ' H ' ' B' ' 60' ' ' ALA . 63.1 m95 -105.51 147.11 28.7 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.11 4.6 8.18 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 179.357 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.507 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -73.91 23.78 0.08 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.729 -0.865 . . . . 0.0 109.071 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.568 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -157.1 114.79 3.15 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.819 . . . . 0.0 109.384 179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.83 12.72 20.94 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.313 -0.867 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.466 ' CD ' HH21 ' A' ' 63' ' ' ARG . 62.3 mtt-85 -131.46 25.06 4.8 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.568 ' NE2' ' HB1' ' B' ' 61' ' ' ALA . 43.2 mt-30 -140.74 151.3 44.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -179.418 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.65 58.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.784 -1.198 . . . . 0.0 109.064 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 157.88 39.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.406 -0.809 . . . . 0.0 109.399 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.71 134.6 49.57 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -97.63 120.29 37.73 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.194 -0.941 . . . . 0.0 110.672 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.584 HG23 ' O ' ' B' ' 69' ' ' THR . 12.0 t -118.12 121.59 40.93 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.44 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t -126.61 85.16 61.02 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 109.234 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.32 65.28 8.31 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 122.578 2.186 . . . . 0.0 112.039 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.409 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 29.5 t90 -69.81 135.26 87.84 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.4 -0.812 . . . . 0.0 109.201 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.409 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 72.5 Cg_exo -39.36 148.64 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.244 0 C-N-CA 121.563 1.508 . . . . 0.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 43.8 t30 -129.98 -60.14 1.03 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.59 125.32 34.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -79.97 112.37 17.21 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.322 -178.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.3 mt -78.73 135.81 37.24 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.551 0.691 . . . . 0.0 109.82 -178.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.599 HG23 ' O ' ' B' ' 78' ' ' THR . 7.5 t -90.98 113.72 59.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -91.82 -48.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.566 1.511 . . . . 0.0 114.38 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.06 -43.69 2.32 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.208 -0.932 . . . . 0.0 113.499 -176.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.643 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.89 -47.94 83.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.57 -1.331 . . . . 0.0 112.678 -176.003 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.643 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 62.2 t30 -72.85 -46.92 50.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.124 -1.61 . . . . 0.0 110.126 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.87 -50.08 75.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 110.395 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.08 -44.9 96.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.916 -1.115 . . . . 0.0 109.46 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 81' ' ' TRP . 53.9 p -68.91 -39.95 79.37 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.328 -0.858 . . . . 0.0 109.598 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -65.77 -39.98 91.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.874 -1.141 . . . . 0.0 109.254 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -60.03 -41.35 92.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.689 -1.257 . . . . 0.0 108.442 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.34 -42.83 96.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.9 t90 -60.47 -49.21 78.47 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 179.038 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.67 -41.08 98.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.906 . . . . 0.0 109.937 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -63.66 -40.24 96.36 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.171 -0.956 . . . . 0.0 110.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.76 -42.57 97.69 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.514 -1.275 . . . . 0.0 108.786 179.215 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.58 -41.16 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.27 -0.894 . . . . 0.0 108.92 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.8 t0 -60.01 -47.61 85.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.503 -0.748 . . . . 0.0 110.028 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.71 -45.25 94.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.776 -1.202 . . . . 0.0 109.613 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.46 -42.79 95.74 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.069 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 101' ' ' THR . 86.4 tt0 -60.6 -48.15 83.07 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.301 -0.874 . . . . 0.0 109.238 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.23 -44.38 95.24 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.376 -0.827 . . . . 0.0 109.623 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.478 HD22 ' C ' ' B' ' 99' ' ' ASN . 0.3 OUTLIER -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.303 -0.873 . . . . 0.0 109.47 -179.489 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 20' ' ' VAL . 83.1 mt -65.18 -41.24 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.414 HG23 ' O ' ' B' ' 97' ' ' GLU . 41.0 p -62.24 -40.86 97.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.928 -1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.91 83.43 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.4 -0.813 . . . . 0.0 109.527 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.79 -43.19 99.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.214 -0.929 . . . . 0.0 109.099 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.47 -46.53 89.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.96 -49.65 76.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 0.0 109.399 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.79 -40.97 94.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.71 98.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.005 -1.06 . . . . 0.0 109.358 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.18 -47.47 85.82 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.091 -1.006 . . . . 0.0 109.116 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.1 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.074 -1.016 . . . . 0.0 109.286 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -65.24 -39.96 93.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.57 -0.706 . . . . 0.0 109.842 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -59.89 -48.41 81.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.403 -0.81 . . . . 0.0 108.965 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.02 -40.97 95.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.119 -0.988 . . . . 0.0 109.492 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.44 -40.81 97.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.32 -42.96 87.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.0 109.809 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 16.0 ttt -69.62 -40.3 76.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.276 -0.89 . . . . 0.0 108.797 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.03 -48.22 82.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.345 -0.847 . . . . 0.0 109.425 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.43 -40.14 93.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.033 -1.042 . . . . 0.0 109.669 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.25 -41.55 93.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.459 -0.776 . . . . 0.0 109.733 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.0 mt-30 -61.78 -39.92 93.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.552 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.12 -39.45 86.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.45 -0.781 . . . . 0.0 109.216 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.36 -47.33 85.83 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.231 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -124.19 62.58 1.09 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.437 -0.79 . . . . 0.0 109.067 178.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.08 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.16 145.65 35.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.372 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -88.44 62.91 6.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.384 -0.823 . . . . 0.0 108.797 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.06 -40.13 96.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.552 -0.717 . . . . 0.0 109.229 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.515 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.48 -43.07 97.36 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.105 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.515 ' N ' HG23 ' C' ' 5' ' ' THR . 58.9 tp -62.4 -42.86 99.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.299 -0.876 . . . . 0.0 109.105 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.74 -39.96 90.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.524 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.72 -46.25 61.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.626 -1.79 . . . . 0.0 108.626 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -49.14 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.583 -0.951 . . . . 0.0 109.555 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.09 -45.62 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.134 -0.979 . . . . 0.0 109.286 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.6 -39.65 88.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.086 . . . . 0.0 109.717 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.13 -41.55 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.395 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.75 -40.89 96.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.927 -1.108 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -61.37 -42.5 98.81 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.035 -1.041 . . . . 0.0 108.7 179.608 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -62.13 -41.73 98.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.289 -0.882 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.93 -41.19 95.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.344 -0.847 . . . . 0.0 109.093 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.1 -43.48 95.53 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.24 -48.21 82.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.306 -0.871 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.412 HG13 HG23 ' A' ' 100' ' ' ILE . 77.9 t -60.08 -41.09 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 109.487 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.92 -46.15 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 108.96 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.11 -42.51 94.89 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.526 0.679 . . . . 0.0 109.762 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.465 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 50.5 mtt-85 -60.82 -39.67 89.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.685 -0.635 . . . . 0.0 109.732 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -39.77 86.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.116 -0.99 . . . . 0.0 108.67 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.16 -48.09 83.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 108.835 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.61 -41.19 98.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.747 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.402 HD23 HD13 ' A' ' 28' ' ' LEU . 22.2 tp -62.16 -40.23 95.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 108.685 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.435 HD13 HD23 ' B' ' 27' ' ' LEU . 19.3 mt -60.22 -40.06 88.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.448 -0.782 . . . . 0.0 109.318 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.22 -40.29 89.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.307 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.3 mt -62.31 -41.81 98.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.129 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -63.82 -39.88 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.084 -1.01 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.26 -40.31 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 108.928 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.1 -41.5 92.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 0.0 110.245 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.66 -47.24 91.9 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.38 -49.95 75.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.893 -1.357 . . . . 0.0 109.462 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.429 -0.795 . . . . 0.0 109.585 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.684 HD21 ' NH2' ' C' ' 41' ' ' ARG . 60.0 t-20 -60.19 -40.46 90.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 109.79 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.18 -39.96 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.022 -1.049 . . . . 0.0 109.013 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.93 -40.05 87.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.979 -1.076 . . . . 0.0 109.63 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.1 p -60.1 -40.27 89.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.717 -1.239 . . . . 0.0 108.722 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.684 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.6 mtt-85 -64.08 -39.99 95.27 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.18 -41.47 86.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.333 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.0 p -61.31 -40.05 92.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.917 -1.114 . . . . 0.0 110.057 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.65 81.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.339 -1.476 . . . . 0.0 108.891 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.6 mt -63.65 -40.1 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 109.86 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -39.8 87.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.097 -1.002 . . . . 0.0 108.841 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.05 -41.65 92.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.344 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 47.2 m-85 -66.98 -38.95 87.0 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.367 -0.833 . . . . 0.0 109.695 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.12 -39.9 87.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.89 -1.131 . . . . 0.0 108.497 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.89 -40.01 87.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.563 -1.335 . . . . 0.0 108.378 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -60.12 -39.77 87.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.296 -0.878 . . . . 0.0 108.722 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 5.5 tm0? -59.53 -40.01 85.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.125 -0.984 . . . . 0.0 109.059 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.484 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -59.96 -36.45 77.14 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.955 -1.091 . . . . 0.0 108.758 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.97 -39.78 86.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.065 -1.022 . . . . 0.0 109.338 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 74.1 mt -74.6 114.28 12.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.832 -1.168 . . . . 0.0 109.643 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -134.12 -70.14 0.52 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -0.909 . . . . 0.0 109.92 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.41 87.88 1.75 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.442 -0.786 . . . . 0.0 108.913 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.409 ' C ' ' H ' ' C' ' 60' ' ' ALA . 64.0 m95 -105.42 147.67 27.99 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.518 -0.739 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 62.83 4.48 7.32 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.51 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -73.57 23.81 0.07 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.462 -1.022 . . . . 0.0 109.388 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.576 ' HB1' ' NE2' ' C' ' 64' ' ' GLN . . . -157.48 114.98 3.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -111.88 12.62 20.86 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 121.374 -0.829 . . . . 0.0 110.835 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.502 HH21 ' CD ' ' A' ' 63' ' ' ARG . 62.5 mtt-85 -131.45 24.74 4.8 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.267 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.576 ' NE2' ' HB1' ' C' ' 61' ' ' ALA . 42.2 mt-30 -140.38 151.61 45.1 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.58 57.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 120.878 -1.139 . . . . 0.0 109.101 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 157.89 39.65 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 0.0 109.833 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -127.37 134.12 49.97 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -97.65 120.33 37.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.222 -0.924 . . . . 0.0 110.779 -178.117 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.562 HG23 ' O ' ' C' ' 69' ' ' THR . 11.0 t -118.74 121.67 40.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.79 85.61 60.42 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.371 -0.831 . . . . 0.0 109.264 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.44 65.66 8.22 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.472 2.115 . . . . 0.0 111.96 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' C' ' 73' ' ' PRO . 27.2 t90 -69.94 134.81 87.65 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.142 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.4 Cg_exo -39.32 148.63 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.49 1.46 . . . . 0.0 111.529 179.765 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 42.9 t30 -129.96 -60.01 1.04 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.583 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 125.4 34.46 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.5 t -80.02 112.41 17.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.323 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.8 135.95 37.22 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.725 0.774 . . . . 0.0 109.821 -178.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.604 HG23 ' O ' ' C' ' 78' ' ' THR . 7.4 t -91.09 113.65 58.95 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.59 -48.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.81 1.674 . . . . 0.0 114.43 -179.333 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -121.77 -43.71 2.35 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.159 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -59.91 -48.04 83.3 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.432 -1.418 . . . . 0.0 112.752 -175.854 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.7 t30 -72.4 -46.8 53.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.082 -1.636 . . . . 0.0 110.161 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -60.18 -49.99 75.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.897 -1.127 . . . . 0.0 110.469 -178.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.18 -44.88 96.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.957 -1.089 . . . . 0.0 109.433 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 81' ' ' TRP . 45.5 p -68.83 -40.04 79.65 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.12 -0.987 . . . . 0.0 109.792 -179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -65.38 -39.98 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.976 -1.078 . . . . 0.0 109.41 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.15 -42.14 94.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.814 -1.179 . . . . 0.0 108.297 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -42.91 95.6 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.503 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.2 t90 -60.06 -49.43 77.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.081 178.828 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.97 -42.78 99.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.709 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -62.11 -40.89 97.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 110.401 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.57 -42.71 97.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.614 -1.304 . . . . 0.0 108.948 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.6 -40.79 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.3 -0.875 . . . . 0.0 108.857 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.1 -48.12 83.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.865 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -60.3 -45.46 93.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.927 -1.108 . . . . 0.0 109.597 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.3 -42.82 96.18 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.942 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.418 ' O ' HG23 ' C' ' 101' ' ' THR . 86.1 tt0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.417 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.1 -44.06 95.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.454 -0.779 . . . . 0.0 109.701 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.455 HD22 ' C ' ' C' ' 99' ' ' ASN . 0.4 OUTLIER -64.92 -40.97 95.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 109.481 -179.644 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.423 HG23 HG13 ' B' ' 20' ' ' VAL . 83.7 mt -65.07 -40.74 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.47 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.8 p -62.81 -40.67 98.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.993 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.69 80.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.296 -0.878 . . . . 0.0 109.446 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -43.56 98.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.14 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -46.57 89.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.117 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.1 -49.77 76.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.806 . . . . 0.0 109.315 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.23 -41.38 92.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.419 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.7 97.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.863 . . . . 0.0 109.622 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.09 -47.61 85.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.353 -0.842 . . . . 0.0 109.243 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.198 -0.939 . . . . 0.0 109.21 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -65.05 -40.15 94.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.39 -0.819 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -60.06 -48.72 80.56 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.32 -0.863 . . . . 0.0 109.123 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.42 -41.16 93.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.066 -1.021 . . . . 0.0 109.506 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.38 -40.84 97.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.979 -1.075 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -66.57 -42.64 86.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.808 -1.182 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 15.8 ttt -69.83 -40.12 76.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.269 -0.895 . . . . 0.0 108.831 179.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.14 -47.99 83.58 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.405 -0.809 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.48 -40.28 94.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.947 -1.096 . . . . 0.0 109.402 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.11 -41.07 91.82 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 109.781 -179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.082 -1.011 . . . . 0.0 109.644 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.79 -38.86 83.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.294 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.62 -47.53 85.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.364 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -123.73 62.17 1.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.0 p . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.52 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.9 mt-30 -75.44 144.99 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.138 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -88.32 58.41 4.72 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.139 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -65.06 -40.0 94.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.569 -0.707 . . . . 0.0 109.662 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.4 t -60.5 -42.49 96.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.188 -0.945 . . . . 0.0 109.287 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 62.6 tp -64.45 -40.68 96.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.991 -1.068 . . . . 0.0 108.917 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.79 -40.02 93.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.331 -0.856 . . . . 0.0 109.733 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.92 93.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.872 -1.143 . . . . 0.0 109.087 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.26 81.12 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -48.92 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -1.073 . . . . 0.0 109.475 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.95 -43.54 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.111 -0.993 . . . . 0.0 108.998 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -60.15 -39.96 88.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.29 -41.51 93.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 109.813 -179.339 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.36 -41.84 94.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.008 -1.057 . . . . 0.0 109.472 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.36 -42.61 96.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.344 -0.848 . . . . 0.0 109.141 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.707 179.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.01 -41.48 99.57 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.407 -0.808 . . . . 0.0 109.25 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD23 ' A' ' 104' ' ' LEU . 60.9 tp -61.42 -40.86 95.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.268 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -48.58 81.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.98 -41.25 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.969 . . . . 0.0 109.644 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.19 -44.91 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.4 -41.69 94.4 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.517 -0.74 . . . . 0.0 109.014 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.575 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 42.7 mtt-85 -61.57 -40.4 94.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.318 -0.864 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.995 -1.066 . . . . 0.0 109.417 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.07 -48.98 79.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 0.0 109.491 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.89 -40.59 96.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.154 -0.966 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.25 -40.7 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.209 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.11 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.414 -0.804 . . . . 0.0 109.195 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -40.22 88.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.87 -1.144 . . . . 0.0 109.516 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.0 mt -60.9 -42.84 98.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.254 179.48 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -61.86 -40.08 94.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.14 -0.975 . . . . 0.0 109.48 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.23 -40.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.777 . . . . 0.0 109.08 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.05 -43.25 95.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.577 -0.702 . . . . 0.0 110.084 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -47.44 91.01 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.363 -1.399 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.97 -49.83 76.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.756 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.63 -39.93 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 109.302 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.607 HD21 ' NH2' ' A' ' 41' ' ' ARG . 44.6 t-20 -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.126 -0.984 . . . . 0.0 109.739 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.28 -39.94 88.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.057 -1.027 . . . . 0.0 109.291 178.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -59.78 -40.01 86.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.203 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 62.6 p -60.22 -40.21 89.34 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.008 -1.057 . . . . 0.0 108.259 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.607 ' NH2' HD21 ' A' ' 37' ' ' ASN . 28.7 mtt-85 -64.51 -40.16 95.12 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.93 -41.31 88.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.549 -0.719 . . . . 0.0 109.361 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 40' ' ' THR . 49.1 p -59.65 -40.28 87.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.888 -1.132 . . . . 0.0 109.317 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.8 96.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.149 -0.969 . . . . 0.0 108.975 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.22 -39.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.732 -0.605 . . . . 0.0 109.634 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.87 -40.27 88.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.259 -0.901 . . . . 0.0 109.185 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.92 -41.78 96.83 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.385 -0.822 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 60.1 m-85 -69.52 -38.32 77.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.146 -0.971 . . . . 0.0 110.063 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.836 -1.165 . . . . 0.0 108.148 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.03 -40.65 90.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.771 -1.206 . . . . 0.0 108.169 178.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 60.2 t0 -60.17 -39.61 87.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.504 -0.747 . . . . 0.0 109.112 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 5.5 tm0? -59.11 -40.08 84.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 108.636 -179.407 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.92 . . . . 0.0 109.21 179.246 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 109.009 -179.081 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.09 113.82 11.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.795 -1.191 . . . . 0.0 108.895 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 53.7 m-80 -133.07 -62.32 0.8 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.178 -0.951 . . . . 0.0 109.098 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.94 86.78 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -104.13 140.08 38.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.588 -0.695 . . . . 0.0 110.018 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 69.65 1.94 33.32 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.477 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.507 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -71.14 23.55 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.604 -0.939 . . . . 0.0 109.703 -179.148 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.56 112.9 2.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.026 -1.046 . . . . 0.0 109.506 179.32 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -108.89 13.14 25.02 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.394 -0.816 . . . . 0.0 109.531 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -123.27 21.93 9.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.362 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.0 mp0 -148.07 151.78 36.26 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.15 61.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.056 -1.027 . . . . 0.0 108.894 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.0 157.78 41.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.301 -0.875 . . . . 0.0 109.761 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -126.49 132.82 51.33 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 68' ' ' THR . 7.3 t -99.62 121.38 41.12 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.263 -0.898 . . . . 0.0 110.896 -177.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 69' ' ' THR . 9.1 t -113.19 121.31 44.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.585 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 95.6 t -127.18 90.99 47.68 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.4 -0.812 . . . . 0.0 109.737 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.07 68.11 6.74 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.445 2.097 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 53.7 t90 -68.12 132.77 91.79 Favored Pre-proline 0 N--CA 1.49 1.526 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.443 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.6 Cg_exo -38.16 148.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 121.333 1.355 . . . . 0.0 111.248 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 53.4 t30 -130.41 -60.24 1.0 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 109.39 -179.079 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.49 125.14 34.13 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -80.85 109.47 15.45 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.219 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.49 136.43 36.31 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 78' ' ' THR . 8.3 t -87.44 115.93 64.45 Favored Pre-proline 0 N--CA 1.49 1.546 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 21.9 Cg_endo -93.22 -47.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.478 1.452 . . . . 0.0 114.287 -179.504 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -121.79 -44.63 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.32 -0.862 . . . . 0.0 113.304 -177.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -59.84 -49.59 77.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.524 -1.36 . . . . 0.0 112.672 -175.788 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.5 t30 -71.64 -40.5 69.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.043 -1.661 . . . . 0.0 110.236 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 79' ' ' PRO . 91.7 m-20 -59.96 -50.24 74.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.033 -1.042 . . . . 0.0 110.715 -178.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.97 -1.081 . . . . 0.0 109.519 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.5 p -69.4 -39.97 77.64 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.185 -0.947 . . . . 0.0 109.629 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -67.09 -40.05 86.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.072 -1.017 . . . . 0.0 108.955 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.13 -41.73 93.3 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.876 -1.14 . . . . 0.0 108.565 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.125 -0.984 . . . . 0.0 108.756 178.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.402 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -60.21 -49.0 79.36 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.17 -42.13 99.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' HG2' HH11 ' A' ' 91' ' ' ARG . 49.9 mtt-85 -61.82 -41.58 97.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.336 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.16 -44.28 95.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.71 -40.45 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.419 -0.8 . . . . 0.0 109.47 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.44 -43.81 96.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.55 -0.719 . . . . 0.0 110.564 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -67.5 -40.39 85.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.439 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -41.47 97.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -44.84 89.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.867 -1.146 . . . . 0.0 109.194 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -48.81 80.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.236 -0.915 . . . . 0.0 109.307 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.58 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 34.5 t-20 -60.31 -46.64 89.16 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.397 -0.814 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.08 -43.97 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 p -60.92 -42.3 97.84 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 0.0 109.726 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.51 85.86 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.564 179.531 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.55 HD11 ' HE ' ' C' ' 23' ' ' ARG . 95.0 mt -61.78 -42.47 99.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.192 -0.943 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.408 HD23 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -60.35 -48.8 80.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.271 -0.893 . . . . 0.0 108.982 179.492 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.08 -46.11 90.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 0.0 109.409 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -64.36 -40.18 95.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.341 -0.849 . . . . 0.0 109.094 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.58 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -49.52 77.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.167 -0.958 . . . . 0.0 109.088 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.2 -50.05 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.302 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.58 -42.28 98.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.387 -0.821 . . . . 0.0 109.376 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.16 -49.05 79.15 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.73 -41.34 97.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -0.828 . . . . 0.0 109.4 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.68 -41.69 99.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.0 109.157 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.54 -45.03 92.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.15 -0.969 . . . . 0.0 109.19 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.2 ttp -65.01 -40.09 94.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.304 -0.872 . . . . 0.0 108.675 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -60.67 -44.88 95.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.54 -0.725 . . . . 0.0 109.693 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.52 -40.7 92.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.018 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.66 -40.57 92.54 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -62.84 -40.0 96.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 110.308 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -60.43 -39.53 87.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 108.997 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.75 -47.52 84.37 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -126.85 61.22 1.34 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.103 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.8 mt-30 -75.46 144.74 41.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.07 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -88.57 57.98 4.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.086 -1.009 . . . . 0.0 108.99 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -64.51 -39.85 94.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.38 -0.825 . . . . 0.0 109.507 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.51 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.1 t -60.42 -43.01 97.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 0.0 109.283 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.51 ' N ' HG23 ' B' ' 5' ' ' THR . 61.4 tp -63.82 -40.95 97.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.973 . . . . 0.0 108.845 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.55 -39.58 91.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.28 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.913 -1.117 . . . . 0.0 109.059 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.63 -46.41 84.36 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.006 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -48.85 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.502 -0.999 . . . . 0.0 109.509 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.81 -43.28 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 108.964 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.5 -40.5 91.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.265 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -41.62 92.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.747 -179.3 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.24 -42.19 94.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.84 -1.163 . . . . 0.0 109.499 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.01 -43.45 95.23 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.02 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.699 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.35 -41.95 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.34 -0.85 . . . . 0.0 109.328 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.408 HD11 HD23 ' B' ' 104' ' ' LEU . 61.5 tp -61.46 -40.63 95.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.908 . . . . 0.0 109.4 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.03 -48.28 82.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.113 -0.992 . . . . 0.0 109.84 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.19 -41.08 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.941 -1.1 . . . . 0.0 109.593 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -45.2 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.922 . . . . 0.0 109.287 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.04 -41.63 92.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.586 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 42.4 mtt-85 -62.15 -40.21 95.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.53 -0.731 . . . . 0.0 109.591 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.12 -39.78 87.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.078 -1.014 . . . . 0.0 109.413 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -60.24 -48.85 79.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 109.52 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.13 -40.72 96.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.985 -1.072 . . . . 0.0 109.471 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -60.93 -40.37 92.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.293 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.819 . . . . 0.0 109.327 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.48 90.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.934 -1.103 . . . . 0.0 109.302 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -60.82 -42.37 97.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.084 -1.01 . . . . 0.0 109.193 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -62.57 -40.09 95.76 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.869 . . . . 0.0 109.511 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.17 -40.09 82.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.477 -0.764 . . . . 0.0 108.955 179.496 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.28 -42.83 96.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 110.138 -179.242 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.8 89.22 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.12 -49.86 75.98 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.948 -1.325 . . . . 0.0 109.912 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.24 -39.96 96.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.085 -1.01 . . . . 0.0 109.455 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.618 HD21 ' NH2' ' B' ' 41' ' ' ARG . 45.1 t-20 -59.89 -40.21 87.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 109.524 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.23 -39.75 87.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 109.347 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.13 -39.97 88.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.212 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 56.6 p -60.77 -40.07 91.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.618 ' NH2' HD21 ' B' ' 37' ' ' ASN . 28.3 mtt-85 -64.41 -40.08 95.09 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.775 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.36 -41.62 87.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.527 -0.733 . . . . 0.0 109.116 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.4 p -59.82 -40.04 87.11 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.481 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.19 94.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 178.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -59.94 -39.82 81.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.748 -0.595 . . . . 0.0 109.759 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.01 -40.09 88.07 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -178.448 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.17 -41.86 97.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.448 -0.783 . . . . 0.0 109.665 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.31 -38.25 78.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 110.231 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.09 -40.07 88.35 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.93 -1.106 . . . . 0.0 108.282 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.1 -40.55 90.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.566 -1.334 . . . . 0.0 107.89 178.356 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.06 -39.77 87.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.466 -0.771 . . . . 0.0 108.988 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 5.3 tm0? -59.07 -39.95 83.71 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.098 -1.001 . . . . 0.0 109.003 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.481 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -60.35 -35.16 75.03 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.37 -39.82 84.53 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.284 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.59 113.95 12.44 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 108.812 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 50.0 m-80 -132.87 -62.46 0.81 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.31 -0.869 . . . . 0.0 109.208 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.53 86.38 1.47 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.016 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -103.96 140.2 38.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.687 -0.633 . . . . 0.0 109.908 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.37 1.85 30.68 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 179.476 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -71.14 23.56 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.456 -1.026 . . . . 0.0 109.834 -179.265 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.52 112.82 2.77 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.109 -0.994 . . . . 0.0 109.548 179.53 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -109.32 13.1 24.42 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.451 -0.781 . . . . 0.0 109.509 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.529 ' O ' ' CD ' ' B' ' 63' ' ' ARG . 0.3 OUTLIER -123.26 21.93 9.48 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.435 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -148.26 151.74 35.95 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.07 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.97 61.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.993 -1.067 . . . . 0.0 109.032 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.72 157.92 41.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.192 -0.943 . . . . 0.0 109.778 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -126.46 133.0 51.32 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 68' ' ' THR . 7.4 t -100.01 121.4 41.3 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.881 0.848 . . . . 0.0 110.78 -177.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 69' ' ' THR . 8.3 t -113.38 121.84 45.56 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.569 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 93.3 t -127.03 91.09 47.74 Favored Pre-proline 0 N--CA 1.501 2.105 0 O-C-N 121.358 -0.839 . . . . 0.0 109.753 -179.57 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -83.84 68.3 6.87 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.54 2.16 . . . . 0.0 112.521 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 50.2 t90 -68.43 132.57 91.3 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 78.3 Cg_exo -38.05 148.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.319 1.346 . . . . 0.0 111.401 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 51.0 t30 -130.04 -60.22 1.03 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.332 -0.855 . . . . 0.0 109.429 -179.292 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.15 34.08 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.8 t -81.09 109.88 16.07 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 118.808 -1.157 . . . . 0.0 108.208 -179.034 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 mt -80.94 136.41 36.03 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.434 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 78' ' ' THR . 9.0 t -87.55 116.22 65.44 Favored Pre-proline 0 C--N 1.301 -1.52 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.438 ' O ' ' ND2' ' B' ' 83' ' ' ASN . 18.6 Cg_endo -93.58 -47.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.573 1.516 . . . . 0.0 114.25 -179.703 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -122.04 -44.3 2.3 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.4 p90 -60.23 -49.81 76.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.578 -1.327 . . . . 0.0 112.468 -175.841 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.9 t30 -71.75 -40.31 69.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.078 -1.639 . . . . 0.0 110.17 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 79' ' ' PRO . 91.6 m-20 -60.0 -50.08 75.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.975 . . . . 0.0 110.609 -178.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.18 -46.63 89.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.908 -1.12 . . . . 0.0 109.453 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 48.2 p -69.48 -40.09 77.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.979 -1.075 . . . . 0.0 109.658 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -67.0 -39.87 87.2 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.089 -1.044 . . . . 0.0 109.115 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.17 -42.06 94.18 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.79 -1.194 . . . . 0.0 108.468 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.48 -40.25 90.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.09 -1.006 . . . . 0.0 108.804 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.45 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -59.95 -49.95 75.68 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.28 -42.3 99.23 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.332 -0.855 . . . . 0.0 110.034 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' B' ' 91' ' ' ARG . 50.7 mtt-85 -61.81 -41.24 97.52 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.954 -1.092 . . . . 0.0 110.391 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -60.29 -44.12 95.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.96 -1.088 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.97 -40.4 87.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.285 -0.885 . . . . 0.0 109.11 179.543 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.26 -44.0 95.66 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.613 -0.679 . . . . 0.0 110.536 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -67.66 -39.91 84.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.801 -1.187 . . . . 0.0 109.622 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.66 -41.18 96.27 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.174 -0.954 . . . . 0.0 109.04 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.67 -44.43 90.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.127 . . . . 0.0 109.437 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.11 -49.19 78.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.367 -0.833 . . . . 0.0 109.258 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.575 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 34.5 t-20 -60.22 -46.55 89.36 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.462 -0.773 . . . . 0.0 109.373 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.21 -43.89 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.438 -0.789 . . . . 0.0 109.789 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 22.9 p -60.86 -42.46 97.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.901 -1.124 . . . . 0.0 109.658 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.44 90.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.731 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.482 HD11 ' HE ' ' A' ' 23' ' ' ARG . 94.7 mt -62.6 -42.23 99.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.246 -0.909 . . . . 0.0 109.226 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.408 HD23 HD11 ' B' ' 18' ' ' LEU . 84.7 mt -60.22 -49.2 78.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.271 -0.893 . . . . 0.0 109.162 179.414 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -45.62 92.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -64.52 -39.98 94.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.0 109.205 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.47 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.238 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.31 -50.0 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.213 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.05 -42.01 98.74 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.296 -0.877 . . . . 0.0 109.305 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.05 -49.39 77.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 108.603 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.21 -41.75 97.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -62.4 -42.01 99.11 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.012 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -62.73 -45.79 91.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.218 -0.926 . . . . 0.0 109.082 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.45 -40.26 95.37 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.282 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.17 -45.61 92.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.576 -0.702 . . . . 0.0 109.513 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.3 -40.71 91.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.349 -0.844 . . . . 0.0 109.021 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.05 -40.22 92.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.01 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 0.0 109.812 -179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -59.93 -39.93 87.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.986 -1.071 . . . . 0.0 109.115 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.94 -47.39 85.22 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -126.6 61.32 1.32 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.543 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.158 -0.964 . . . . 0.0 109.005 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.507 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.5 mt-30 -75.62 145.21 41.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.323 -0.861 . . . . 0.0 109.176 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -88.23 58.37 4.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.901 -1.124 . . . . 0.0 109.056 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.63 -40.28 95.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.359 -0.838 . . . . 0.0 109.456 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.25 -42.8 96.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' C' ' 5' ' ' THR . 62.6 tp -64.26 -40.42 95.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.925 -1.11 . . . . 0.0 108.861 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.03 -39.71 93.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 109.743 179.462 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.56 93.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.835 -1.166 . . . . 0.0 109.114 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.98 80.67 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 179.12 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -48.87 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.46 -1.023 . . . . 0.0 109.495 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.27 -43.57 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.793 -1.192 . . . . 0.0 108.918 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -60.26 -40.01 88.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.037 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -41.51 92.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.09 -42.14 94.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.912 -1.118 . . . . 0.0 109.598 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.01 -43.33 95.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.452 -0.78 . . . . 0.0 109.168 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -61.38 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.333 -0.854 . . . . 0.0 109.641 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.76 -41.61 99.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.836 . . . . 0.0 109.183 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.405 HD11 HD23 ' C' ' 104' ' ' LEU . 60.4 tp -61.33 -40.78 95.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.246 -0.909 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.27 -48.51 81.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.909 . . . . 0.0 109.667 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.2 -40.78 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.117 -0.989 . . . . 0.0 109.593 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.36 -45.11 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.0 109.28 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.06 -41.28 92.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.58 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 43.5 mtt-85 -62.27 -39.91 94.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.555 -0.716 . . . . 0.0 109.622 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.206 -0.934 . . . . 0.0 109.3 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.68 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.522 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.34 -40.7 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.077 -1.015 . . . . 0.0 109.453 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.22 -40.22 93.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.421 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.2 -39.95 88.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.0 109.031 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.52 -40.19 90.57 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.995 -1.066 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.402 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.6 mt -60.78 -42.42 97.51 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 80.9 p -62.5 -40.08 95.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.303 -0.873 . . . . 0.0 109.422 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.34 -39.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -60.01 -43.25 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.446 -0.784 . . . . 0.0 110.314 -179.589 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.74 89.53 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.858 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -60.05 -49.93 75.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.973 -1.31 . . . . 0.0 109.856 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.09 -40.04 96.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.289 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.602 HD21 ' NH2' ' C' ' 41' ' ' ARG . 45.5 t-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.106 -0.996 . . . . 0.0 109.627 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 38' ' ' LEU . 88.8 mt -60.51 -39.7 88.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 179.176 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -59.58 -40.51 87.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.058 -1.026 . . . . 0.0 109.144 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -60.02 -40.4 89.16 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.602 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -64.46 -40.11 95.09 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.8 -40.91 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 51.4 p -60.22 -40.0 88.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.921 -1.112 . . . . 0.0 109.221 -179.359 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.3 94.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 108.893 179.05 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.24 -39.64 81.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.639 -0.663 . . . . 0.0 109.703 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -40.37 88.86 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.132 -0.98 . . . . 0.0 108.956 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.6 -41.75 95.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 60.0 m-85 -69.74 -38.11 76.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.174 -0.954 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.83 -40.05 87.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.969 -1.082 . . . . 0.0 108.253 179.109 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -60.1 -40.19 88.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.684 -1.26 . . . . 0.0 108.155 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.28 -39.66 87.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 109.007 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 5.1 tm0? -59.18 -39.91 84.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 108.871 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.479 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -60.43 -35.57 76.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 109.199 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.48 -39.95 85.37 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 109.049 -178.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.81 113.6 11.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.923 -1.111 . . . . 0.0 108.765 179.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 52.6 m-80 -132.9 -62.88 0.79 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.239 -0.913 . . . . 0.0 109.157 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.2 86.48 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -104.13 140.41 37.83 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.537 -0.727 . . . . 0.0 109.98 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 69.28 1.59 28.67 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.47 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.502 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -71.05 23.38 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.584 -0.951 . . . . 0.0 109.7 -179.172 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.16 112.68 2.85 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.965 -1.085 . . . . 0.0 109.583 179.261 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -108.96 13.19 24.88 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.35 -0.844 . . . . 0.0 109.449 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.519 ' O ' ' CD ' ' C' ' 63' ' ' ARG . 0.3 OUTLIER -123.31 21.87 9.46 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 178.575 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -148.38 151.4 35.22 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -107.54 61.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.157 -0.964 . . . . 0.0 108.871 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.56 157.79 41.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -126.69 132.92 51.05 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 68' ' ' THR . 6.8 t -99.89 121.42 41.29 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.369 -0.832 . . . . 0.0 111.054 -177.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.537 HG23 ' O ' ' C' ' 69' ' ' THR . 8.2 t -113.11 121.26 44.03 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.571 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 91.2 t -126.72 90.59 49.33 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -83.87 68.51 6.8 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.383 2.055 . . . . 0.0 112.554 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.462 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 51.8 t90 -68.6 132.44 91.06 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.383 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 73.9 Cg_exo -37.56 148.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.44 1.427 . . . . 0.0 111.31 -179.698 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 51.4 t30 -129.98 -60.36 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.224 -0.923 . . . . 0.0 109.353 -179.344 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.19 34.11 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -80.92 109.74 15.78 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.161 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.86 136.28 36.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.495 0.664 . . . . 0.0 109.429 -178.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.605 HG23 ' O ' ' C' ' 78' ' ' THR . 8.6 t -87.18 116.09 64.92 Favored Pre-proline 0 N--CA 1.49 1.545 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 79' ' ' PRO . . . . . 0.461 ' O ' ' ND2' ' C' ' 83' ' ' ASN . 20.7 Cg_endo -93.5 -47.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.595 1.53 . . . . 0.0 114.202 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -122.07 -44.73 2.28 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.1 p90 -59.85 -49.72 76.6 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.494 -1.379 . . . . 0.0 112.566 -175.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.7 t30 -71.73 -40.26 69.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 119.975 -1.703 . . . . 0.0 110.125 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 83' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' C' ' 79' ' ' PRO . 91.7 m-20 -60.32 -49.99 75.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 0.0 110.527 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.25 -46.48 89.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.732 -1.23 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 48.1 p -69.41 -39.93 77.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -67.03 -40.16 87.16 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.001 -1.062 . . . . 0.0 109.045 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.97 -42.03 93.23 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.916 -1.115 . . . . 0.0 108.428 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.53 -40.33 91.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.012 -1.055 . . . . 0.0 108.626 179.243 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.454 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.9 t90 -59.98 -49.79 76.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 108.959 179.309 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.91 -41.26 99.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.937 . . . . 0.0 109.95 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 91' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' C' ' 91' ' ' ARG . 50.7 mtt-85 -62.57 -41.54 99.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.018 . . . . 0.0 110.196 -179.761 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.791 -1.193 . . . . 0.0 109.222 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.93 -40.47 87.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.259 -0.901 . . . . 0.0 109.144 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.11 -44.22 95.02 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.337 -0.852 . . . . 0.0 110.666 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.18 -40.27 86.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.689 -1.257 . . . . 0.0 109.535 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.38 -41.13 96.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.235 -0.916 . . . . 0.0 109.528 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.85 -44.13 90.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.092 . . . . 0.0 109.293 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.38 -49.13 78.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.347 -0.846 . . . . 0.0 109.198 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 34.6 t-20 -60.07 -47.1 87.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.454 -0.779 . . . . 0.0 109.222 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.01 -44.05 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.812 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 23.2 p -60.83 -42.58 97.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.963 -1.086 . . . . 0.0 109.765 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.72 89.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.456 HD11 ' HE ' ' B' ' 23' ' ' ARG . 94.6 mt -62.05 -42.69 99.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.232 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.405 HD23 HD11 ' C' ' 18' ' ' LEU . 85.4 mt -59.98 -48.75 80.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -0.901 . . . . 0.0 109.082 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.93 -46.53 89.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.498 -0.751 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.03 -40.02 95.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.446 -0.784 . . . . 0.0 109.327 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.91 99.45 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 0.0 109.508 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.62 -49.22 78.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.125 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.26 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.296 -0.877 . . . . 0.0 109.255 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.98 -41.88 98.51 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.272 -0.893 . . . . 0.0 109.29 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -60.0 -49.3 78.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.86 . . . . 0.0 108.918 179.458 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.44 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -61.88 -42.62 99.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.35 -0.843 . . . . 0.0 109.061 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.54 -45.42 93.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 50.9 ttp -64.73 -40.51 95.46 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -60.12 -46.03 91.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.524 -0.735 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.06 -40.59 89.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.79 -40.62 93.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.45 -0.781 . . . . 0.0 109.033 179.241 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -62.7 -39.95 95.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.493 -0.754 . . . . 0.0 109.879 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.39 -39.18 86.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 109.128 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.32 -47.33 85.8 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -126.71 61.33 1.33 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.549 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.25 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.309 0.576 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -70.78 144.5 50.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.143 -0.973 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -90.09 59.13 4.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.339 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.49 -40.03 94.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.364 -0.835 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.1 t -60.0 -41.59 92.4 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.018 -1.051 . . . . 0.0 109.102 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 5' ' ' THR . 61.3 tp -60.76 -43.36 98.1 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.064 -1.022 . . . . 0.0 108.445 179.359 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.49 -40.05 93.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -0.785 . . . . 0.0 109.718 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.067 -1.02 . . . . 0.0 108.692 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.54 61.26 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -49.18 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.425 -1.044 . . . . 0.0 109.351 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.93 -46.12 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.139 -0.975 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.476 -0.765 . . . . 0.0 109.418 178.569 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -60.01 -42.53 94.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.457 -0.777 . . . . 0.0 109.241 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.14 -40.93 91.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.992 -1.068 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.288 -0.882 . . . . 0.0 109.442 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.2 mt-30 -65.34 -40.19 93.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.154 -0.966 . . . . 0.0 109.534 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.26 -40.09 93.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.0 108.996 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.97 -44.76 94.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.491 -0.756 . . . . 0.0 109.383 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.07 -46.7 88.68 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.225 -0.922 . . . . 0.0 110.248 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.416 -179.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -44.89 95.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.046 -1.034 . . . . 0.0 108.806 -179.7 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.01 -40.03 91.98 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.329 -0.857 . . . . 0.0 109.43 179.174 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' NE ' ' OD1' ' B' ' 99' ' ' ASN . 31.5 mmt180 -60.0 -40.22 88.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.68 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.35 -40.03 89.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 108.946 179.322 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -59.97 -48.02 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 108.922 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.6 -44.59 96.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.48 -40.04 89.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.32 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.03 -39.98 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.35 -0.844 . . . . 0.0 109.407 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 57.8 mtt-85 -60.06 -40.59 89.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.986 -1.071 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.538 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.3 mt -62.87 -40.6 98.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -65.24 -39.99 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.441 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.566 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 71.6 t -60.76 -40.8 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.435 -0.791 . . . . 0.0 109.366 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.01 -43.09 95.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.51 -46.77 92.71 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.08 -49.68 76.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.018 -1.284 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.1 mttp -61.81 -39.92 93.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.969 -1.082 . . . . 0.0 110.051 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.5 OUTLIER -60.04 -40.56 89.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.247 -0.908 . . . . 0.0 109.573 -179.493 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.54 -39.99 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.143 -0.973 . . . . 0.0 109.578 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.119 -0.988 . . . . 0.0 109.956 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.3 p -60.06 -41.19 91.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.975 -1.078 . . . . 0.0 108.563 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.503 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 29.9 mtt-85 -63.15 -40.03 96.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -40.92 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.817 . . . . 0.0 109.3 179.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -60.11 -39.98 88.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.124 -0.985 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.34 82.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.944 -1.098 . . . . 0.0 109.272 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.12 -45.12 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.473 -0.767 . . . . 0.0 110.944 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.23 -39.33 89.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.296 . . . . 0.0 109.978 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.159 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.0 m-85 -69.45 -39.21 77.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.049 -1.032 . . . . 0.0 109.442 178.857 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD2' HE22 ' C' ' 52' ' ' GLN . 64.5 mt -60.05 -39.93 87.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.933 -1.104 . . . . 0.0 108.874 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.02 -39.98 87.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 108.752 179.01 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.753 -1.217 . . . . 0.0 108.722 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' B' ' 52' ' ' GLN . 45.5 mt-30 -63.99 -37.3 86.92 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.585 179.137 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -53.96 -32.88 55.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.824 -1.172 . . . . 0.0 108.064 179.067 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.85 -39.36 84.9 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.8 mt -71.74 117.61 13.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 108.896 179.005 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 32.4 m120 -133.05 -70.29 0.54 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.244 -0.91 . . . . 0.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.33 88.17 1.36 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.419 ' N ' ' CD1' ' A' ' 58' ' ' TRP . 37.6 m95 -101.33 128.38 47.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.681 . . . . 0.0 109.974 -179.137 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 109.72 -5.84 31.15 Favored Glycine 0 N--CA 1.502 3.063 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.56 177.673 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.84 25.26 0.21 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.952 1.876 . . . . 0.0 109.132 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.554 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.22 102.86 15.15 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.35 -0.844 . . . . 0.0 109.723 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 15.6 m-85 -106.06 7.3 31.77 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.643 -1.285 . . . . 0.0 109.697 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -159.22 25.16 0.2 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.727 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.14 151.85 41.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.39 -0.819 . . . . 0.0 109.81 -178.333 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 t -110.22 57.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.03 159.4 44.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -120.34 134.77 55.2 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.561 -0.712 . . . . 0.0 109.118 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 68' ' ' THR . 14.5 t -92.96 120.51 33.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.106 -0.996 . . . . 0.0 110.43 -178.288 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 69' ' ' THR . 9.8 t -113.66 123.41 49.86 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' TRP . 40.8 t -127.38 82.16 68.74 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.31 -0.869 . . . . 0.0 109.982 -179.346 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.72 69.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.761 2.308 . . . . 0.0 112.386 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' VAL . 17.3 t90 -66.38 123.45 85.51 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.689 -1.257 . . . . 0.0 108.045 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 52.3 Cg_exo -37.34 147.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.659 1.573 . . . . 0.0 111.977 -179.26 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER -130.24 -60.82 1.0 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.462 -0.774 . . . . 0.0 109.289 -179.857 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.06 124.67 34.98 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.432 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.6 p -81.11 107.54 14.0 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.8 135.69 37.15 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.663 0.744 . . . . 0.0 109.882 -178.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 78' ' ' THR . 7.7 t -91.01 113.89 59.67 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.725 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -90.81 -48.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.097 0 C-N-CA 121.687 1.591 . . . . 0.0 114.222 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.64 -43.68 2.37 Favored 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.98 -48.44 81.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.352 -1.467 . . . . 0.0 112.358 -175.615 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.7 t30 -72.17 -43.27 64.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.214 -1.554 . . . . 0.0 110.366 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.92 -50.07 75.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.974 . . . . 0.0 110.568 -178.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.59 -43.77 97.97 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.054 -1.029 . . . . 0.0 109.745 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.7 p -70.0 -39.94 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -67.8 -40.07 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.914 -1.116 . . . . 0.0 109.315 -179.241 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.5 ' C ' ' HE ' ' A' ' 91' ' ' ARG . 93.0 mt-30 -59.92 -41.26 91.36 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.615 -1.303 . . . . 0.0 108.399 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.502 ' N ' HH21 ' A' ' 91' ' ' ARG . 88.7 tt0 -62.32 -40.57 96.77 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.131 -0.98 . . . . 0.0 108.475 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 70.1 t90 -60.0 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.518 -0.739 . . . . 0.0 109.072 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.39 -40.59 96.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.198 -0.939 . . . . 0.0 109.54 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.502 HH21 ' N ' ' A' ' 88' ' ' GLU . 87.0 mtm180 -63.63 -41.04 98.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.082 -1.011 . . . . 0.0 110.267 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.59 -42.86 97.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 109.625 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.41 -41.67 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.898 -1.126 . . . . 0.0 109.401 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.91 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.414 -0.804 . . . . 0.0 110.134 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -62.12 -40.13 94.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.995 -1.066 . . . . 0.0 109.99 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.01 -40.82 78.46 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.117 -0.989 . . . . 0.0 109.359 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 54.0 tp10 -60.79 -45.73 93.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 108.836 179.059 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.99 -47.42 85.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 0.0 109.304 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.487 ' OD1' ' NE ' ' C' ' 23' ' ' ARG . 26.8 t-20 -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.178 -0.951 . . . . 0.0 109.121 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -60.08 -43.3 95.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.316 -0.865 . . . . 0.0 108.983 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.62 80.96 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 108.969 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.95 -45.55 92.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.291 -0.881 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.14 -43.2 95.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.165 -0.959 . . . . 0.0 109.138 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.96 -49.91 75.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.173 -0.954 . . . . 0.0 109.031 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -61.0 -41.59 96.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 108.973 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.33 97.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.266 -0.897 . . . . 0.0 109.798 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -59.88 -48.69 80.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.63 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.362 179.577 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 63.2 tt0 -62.64 -40.05 95.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.328 -0.857 . . . . 0.0 109.518 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -59.94 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.215 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -45.64 92.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.146 -0.971 . . . . 0.0 109.055 179.718 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.03 -45.38 92.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.24 -44.52 97.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.08 -1.012 . . . . 0.0 109.178 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.62 -40.02 80.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.239 -0.913 . . . . 0.0 108.709 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.95 -48.62 80.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.523 -0.736 . . . . 0.0 109.504 179.656 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.05 90.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.268 -0.895 . . . . 0.0 109.7 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.66 -44.28 96.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.151 -0.968 . . . . 0.0 109.427 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.8 mt-30 -61.11 -40.07 92.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.2 -0.938 . . . . 0.0 109.677 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 109.718 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.55 -46.81 87.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -125.92 62.74 1.23 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.637 -0.665 . . . . 0.0 109.34 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 117.981 -1.009 . . . . 0.0 108.955 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.3 mt-30 -70.83 144.52 50.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -90.04 59.39 4.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.089 -1.007 . . . . 0.0 109.306 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.71 -39.96 94.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 0.0 109.002 179.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.5 t -60.05 -41.46 92.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.2 -0.938 . . . . 0.0 109.075 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.526 ' N ' HG23 ' B' ' 5' ' ' THR . 61.8 tp -60.79 -43.71 97.76 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.436 -0.79 . . . . 0.0 109.659 179.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.07 87.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.005 -1.059 . . . . 0.0 108.719 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.58 61.45 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -49.11 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.07 -46.13 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.402 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.488 -0.757 . . . . 0.0 109.383 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -60.04 -42.19 93.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.18 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.71 -40.45 92.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.053 -1.03 . . . . 0.0 109.12 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.21 -40.74 91.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.915 . . . . 0.0 109.493 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 28.3 mt-30 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.504 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.42 -40.0 92.81 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.141 -0.975 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.11 -44.73 94.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.567 -0.708 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.08 -46.83 88.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.118 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.96 -40.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -44.72 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.086 -1.009 . . . . 0.0 108.733 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.16 -39.98 92.15 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.49 -0.756 . . . . 0.0 109.444 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.455 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 31.8 mmt180 -60.09 -40.5 89.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.864 . . . . 0.0 109.429 -179.705 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 108.924 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -59.99 -48.07 83.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.227 -0.921 . . . . 0.0 108.831 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -44.21 97.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.131 -0.98 . . . . 0.0 109.58 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.89 -40.05 91.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.296 -0.877 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.97 -40.04 87.71 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.367 -0.833 . . . . 0.0 109.231 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.462 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 58.1 mtt-85 -59.93 -40.41 88.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.903 -1.123 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.516 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.0 mt -62.98 -40.92 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.003 -1.06 . . . . 0.0 109.562 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.8 p -65.13 -39.97 93.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.052 -1.03 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.552 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 71.0 t -60.58 -40.84 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -60.01 -43.19 95.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.448 -0.782 . . . . 0.0 110.318 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.67 -46.67 93.02 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -1.232 . . . . 0.0 109.983 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.552 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.1 mttp -61.47 -39.97 92.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.867 -1.146 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.51 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.4 OUTLIER -60.05 -40.73 90.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 109.448 -179.282 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.26 -39.95 92.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.09 -1.006 . . . . 0.0 109.559 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.24 -40.96 92.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.216 -0.928 . . . . 0.0 109.963 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 72.7 p -60.4 -40.59 91.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.088 -1.008 . . . . 0.0 108.594 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 31.1 mtt-85 -63.74 -40.06 95.8 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.2 -40.42 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 0.0 109.267 179.538 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.2 p -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.961 -1.087 . . . . 0.0 109.28 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -41.6 83.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.903 -1.123 . . . . 0.0 109.317 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.96 -45.96 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.81 -179.233 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -39.62 87.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.621 -1.3 . . . . 0.0 110.113 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.521 -1.362 . . . . 0.0 109.01 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.5 m-85 -69.47 -39.05 77.95 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.957 -1.089 . . . . 0.0 109.596 178.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.942 -1.099 . . . . 0.0 108.841 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.149 -0.969 . . . . 0.0 108.765 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.774 -1.204 . . . . 0.0 108.653 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' A' ' 52' ' ' GLN . 45.2 mt-30 -63.59 -37.94 89.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.037 -1.039 . . . . 0.0 109.623 178.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -53.6 -32.92 53.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.865 -1.147 . . . . 0.0 108.066 179.127 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.65 -39.2 83.6 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.052 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -72.19 117.24 13.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 108.873 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 32.6 m120 -132.6 -70.56 0.55 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 109.337 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.08 88.32 1.38 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 38.1 m95 -101.4 128.65 47.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.6 -0.688 . . . . 0.0 109.981 -179.272 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 109.73 -6.09 31.21 Favored Glycine 0 N--CA 1.502 3.081 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.662 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.81 25.21 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.939 -1.918 . . . . 0.0 109.12 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.18 103.1 15.4 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.532 -0.73 . . . . 0.0 109.702 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 15.2 m-85 -106.16 7.25 31.54 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.783 -1.198 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -159.33 24.93 0.2 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -142.99 151.59 41.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.427 -0.795 . . . . 0.0 109.943 -178.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -110.01 57.31 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.38 159.37 44.51 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.451 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.48 134.73 55.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 68' ' ' THR . 14.5 t -92.9 120.49 33.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.89 . . . . 0.0 110.428 -178.258 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.518 HG23 ' O ' ' B' ' 69' ' ' THR . 10.3 t -113.72 123.53 50.1 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' TRP . 41.5 t -127.58 82.03 69.06 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.386 -0.821 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.55 69.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.776 2.317 . . . . 0.0 112.465 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' VAL . 18.6 t90 -66.67 123.3 85.48 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 120.776 -1.203 . . . . 0.0 107.961 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' B' ' 72' ' ' TRP . 53.0 Cg_exo -37.35 147.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.599 1.532 . . . . 0.0 111.903 -179.037 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.59 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -130.25 -60.78 1.0 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.398 -0.814 . . . . 0.0 109.128 -179.708 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.34 124.94 35.33 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -81.41 107.58 14.3 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.96 135.66 37.0 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.798 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.585 HG23 ' O ' ' B' ' 78' ' ' THR . 7.6 t -91.17 114.1 60.5 Favored Pre-proline 0 N--CA 1.491 1.613 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -91.19 -48.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.712 1.608 . . . . 0.0 114.179 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.75 -43.96 2.34 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.99 -48.36 82.03 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.422 -1.424 . . . . 0.0 112.422 -175.477 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.634 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.96 -43.62 64.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.215 -1.553 . . . . 0.0 110.425 -179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.98 -49.94 75.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.123 -0.986 . . . . 0.0 110.393 -178.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.7 -43.43 98.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.051 -1.031 . . . . 0.0 109.629 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 51.4 p -70.04 -40.01 75.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.123 -0.986 . . . . 0.0 110.215 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -67.75 -39.98 84.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.879 -1.138 . . . . 0.0 109.53 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 87' ' ' GLN . . . . . 0.506 ' C ' ' HE ' ' B' ' 91' ' ' ARG . 93.1 mt-30 -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.554 -1.342 . . . . 0.0 108.358 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.51 ' N ' HH21 ' B' ' 91' ' ' ARG . 88.6 tt0 -62.3 -40.53 96.6 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 108.496 178.517 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -59.95 -49.91 75.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.475 -0.765 . . . . 0.0 109.056 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.4 -39.96 94.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.51 HH21 ' N ' ' B' ' 88' ' ' GLU . 87.1 mtm180 -64.51 -40.79 96.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 110.1 -179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.87 -42.24 97.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.892 -1.13 . . . . 0.0 109.578 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.95 -47.93 83.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.463 -0.773 . . . . 0.0 110.183 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.41 -40.0 95.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.909 -179.32 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.27 -40.46 77.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.186 -0.946 . . . . 0.0 109.255 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.462 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 53.6 tp10 -61.08 -45.59 94.11 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 108.837 179.09 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.96 87.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.32 -0.863 . . . . 0.0 109.557 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.501 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 26.8 t-20 -60.26 -45.39 93.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 109.436 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.97 -46.92 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.117 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -59.98 -43.49 95.1 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.335 -0.853 . . . . 0.0 109.084 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.34 82.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.424 -0.797 . . . . 0.0 109.11 179.363 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -45.68 92.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.447 -0.783 . . . . 0.0 109.115 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.08 -43.26 95.61 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.266 -0.896 . . . . 0.0 109.072 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.02 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 108.934 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -60.69 -41.41 95.11 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.052 -1.03 . . . . 0.0 109.319 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.99 97.75 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 109.655 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -49.02 79.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.091 -1.006 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 95.3 mt -60.03 -50.07 81.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.143 -0.973 . . . . 0.0 109.227 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 63.2 tt0 -62.37 -40.04 95.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.32 -0.863 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -59.93 -49.39 77.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.91 . . . . 0.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.07 -45.54 92.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.011 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.05 -45.32 93.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.841 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.55 -44.52 96.88 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.076 -1.015 . . . . 0.0 109.126 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.49 -40.0 81.1 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.341 -0.849 . . . . 0.0 108.774 179.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.03 -48.64 80.88 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.638 -0.664 . . . . 0.0 109.412 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.57 92.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.29 -0.881 . . . . 0.0 109.594 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.97 -44.73 94.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.143 -0.973 . . . . 0.0 109.38 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.79 -40.06 91.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.202 -0.936 . . . . 0.0 109.863 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 0.0 109.63 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.82 -46.16 90.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -126.41 62.54 1.28 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.66 -0.65 . . . . 0.0 109.291 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 117.938 -1.029 . . . . 0.0 108.982 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.51 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.4 mt-30 -70.97 144.37 50.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 109.704 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -89.95 59.23 4.48 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.239 -0.913 . . . . 0.0 109.342 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.63 -40.03 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.378 -0.826 . . . . 0.0 109.196 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.519 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.0 t -59.92 -41.76 92.43 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.117 -0.99 . . . . 0.0 109.146 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.519 ' N ' HG23 ' C' ' 5' ' ' THR . 61.8 tp -60.76 -43.38 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.149 -0.969 . . . . 0.0 108.418 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.43 -39.96 92.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.449 -0.782 . . . . 0.0 109.614 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.1 87.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 108.745 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.95 -46.33 59.93 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -49.04 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.321 -1.105 . . . . 0.0 109.274 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.03 -46.19 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -59.96 -42.09 93.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.42 -0.8 . . . . 0.0 109.373 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -60.95 -40.13 92.13 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.083 -1.01 . . . . 0.0 109.016 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.39 -40.59 91.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.325 -0.86 . . . . 0.0 109.495 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.1 mt-30 -65.61 -40.02 92.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 109.66 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.5 -40.04 92.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.166 -0.959 . . . . 0.0 108.983 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.07 -44.66 94.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.613 -0.68 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.01 -47.02 87.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.269 -0.894 . . . . 0.0 110.104 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.94 -40.06 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 0.0 109.523 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.97 -44.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 108.859 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.1 -40.12 92.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.487 ' NE ' ' OD1' ' A' ' 99' ' ' ASN . 31.6 mmt180 -60.07 -40.37 89.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.23 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.13 -39.99 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.994 179.299 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -59.98 -48.06 83.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.249 -0.907 . . . . 0.0 108.989 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.5 -44.3 97.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.613 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.73 -40.1 91.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 109.188 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 0.0 109.245 179.625 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.478 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 58.6 mtt-85 -60.1 -40.05 88.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.115 -0.991 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.0 mt -63.28 -40.5 97.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.007 -1.058 . . . . 0.0 109.74 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -65.26 -40.0 93.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.465 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 32' ' ' VAL . . . . . 0.557 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 71.4 t -60.87 -40.76 86.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.232 -0.917 . . . . 0.0 109.409 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.95 -43.05 95.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.346 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.48 -47.09 91.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.13 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -1.232 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 36' ' ' LYS . . . . . 0.557 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.27 -40.02 92.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.918 -1.114 . . . . 0.0 110.164 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.454 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.5 OUTLIER -59.97 -40.67 89.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 109.489 -179.399 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.27 -39.93 92.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.073 -1.017 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.21 -40.96 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 0.0 110.112 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.49 -40.4 91.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.969 -1.082 . . . . 0.0 108.676 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 30.4 mtt-85 -63.84 -39.86 95.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -41.34 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.457 -0.777 . . . . 0.0 109.147 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 40' ' ' THR . 74.7 p -60.02 -40.01 87.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.054 -1.029 . . . . 0.0 109.212 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.71 83.49 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.84 -1.163 . . . . 0.0 109.312 179.575 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -59.95 -45.48 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 0.0 110.969 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.59 -39.27 87.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.539 -1.351 . . . . 0.0 110.088 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.99 -40.1 88.03 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.71 -1.243 . . . . 0.0 109.111 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.5 m-85 -69.67 -39.16 77.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.077 -1.014 . . . . 0.0 109.449 178.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.11 -39.98 88.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.949 -1.094 . . . . 0.0 108.905 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.9 -40.06 87.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 108.769 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.02 -39.87 87.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.806 -1.183 . . . . 0.0 108.627 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.434 ' OE1' ' OE1' ' A' ' 52' ' ' GLN . 44.8 mt-30 -63.86 -37.83 88.86 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.047 -1.033 . . . . 0.0 109.495 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -53.47 -32.64 51.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.842 -1.161 . . . . 0.0 108.109 179.159 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.86 -39.18 84.36 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.22 117.47 13.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 108.919 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 32.8 m120 -132.74 -70.59 0.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.248 -0.907 . . . . 0.0 109.334 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.05 88.1 1.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.491 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.415 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 37.5 m95 -101.36 128.27 47.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.631 -0.668 . . . . 0.0 110.05 -179.32 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.11 -5.7 30.45 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.341 -0.849 . . . . 0.0 112.662 177.518 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.82 25.02 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.126 -1.808 . . . . 0.0 109.133 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.15 102.02 14.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.377 -0.827 . . . . 0.0 109.9 179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 14.6 m-85 -105.31 7.51 33.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.722 -1.236 . . . . 0.0 109.831 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -159.15 25.06 0.2 Allowed 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.92 151.94 41.51 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.321 -0.862 . . . . 0.0 109.832 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -110.17 56.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 177.718 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.01 159.31 44.5 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.14 134.33 55.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.563 -0.71 . . . . 0.0 109.182 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.573 HG23 ' O ' ' C' ' 68' ' ' THR . 14.4 t -92.75 120.52 33.22 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.181 -0.949 . . . . 0.0 110.456 -178.337 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.518 HG23 ' O ' ' C' ' 69' ' ' THR . 10.0 t -113.83 123.37 49.64 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' C' ' 72' ' ' TRP . 41.0 t -127.45 81.96 69.13 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.404 -0.81 . . . . 0.0 109.933 -179.187 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -55.58 69.0 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.864 2.376 . . . . 0.0 112.384 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.53 ' N ' ' O ' ' C' ' 70' ' ' VAL . 16.9 t90 -66.29 123.36 85.19 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.491 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 52.0 Cg_exo -37.4 147.73 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.634 1.556 . . . . 0.0 111.924 -179.289 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.5 OUTLIER -130.28 -60.64 1.0 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.276 -0.89 . . . . 0.0 109.237 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.41 124.6 35.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -81.32 107.45 14.12 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 135.38 36.89 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.724 0.773 . . . . 0.0 109.909 -177.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.59 HG23 ' O ' ' C' ' 78' ' ' THR . 7.8 t -90.47 113.9 59.23 Favored Pre-proline 0 N--CA 1.49 1.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.93 -48.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.523 1.482 . . . . 0.0 114.26 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.71 -43.71 2.36 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -59.95 -48.45 81.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.451 -1.406 . . . . 0.0 112.309 -175.595 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.628 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.6 t30 -72.13 -43.38 64.8 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.144 -1.597 . . . . 0.0 110.347 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 110.463 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.63 -43.73 98.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.684 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 50.0 p -70.04 -40.06 75.37 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.073 -1.017 . . . . 0.0 110.097 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -67.52 -39.99 85.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.833 -1.167 . . . . 0.0 109.465 -179.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 87' ' ' GLN . . . . . 0.498 ' C ' ' HE ' ' C' ' 91' ' ' ARG . 92.8 mt-30 -59.99 -41.52 92.21 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.606 -1.308 . . . . 0.0 108.329 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 88' ' ' GLU . . . . . 0.5 ' N ' HH21 ' C' ' 91' ' ' ARG . 88.6 tt0 -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.039 -1.038 . . . . 0.0 108.458 178.65 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.516 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.95 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.45 -40.2 95.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.875 . . . . 0.0 109.624 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 91' ' ' ARG . . . . . 0.5 HH21 ' N ' ' C' ' 88' ' ' GLU . 87.1 mtm180 -64.01 -40.94 97.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.105 -0.997 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -60.57 -42.63 97.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.839 -1.163 . . . . 0.0 109.644 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.81 -41.4 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.419 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -59.87 -48.27 82.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.41 -0.806 . . . . 0.0 110.119 -179.408 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -62.15 -40.34 95.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.053 -1.029 . . . . 0.0 109.848 -179.217 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.96 -40.7 78.72 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.187 -0.945 . . . . 0.0 109.329 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.478 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 53.9 tp10 -60.92 -45.76 93.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.165 -0.959 . . . . 0.0 108.887 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -47.28 86.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.286 -0.883 . . . . 0.0 109.334 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.455 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 26.7 t-20 -59.94 -45.61 92.06 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.008 -1.057 . . . . 0.0 109.435 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.99 -46.7 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 0.0 109.122 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -59.96 -43.5 95.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.186 -0.946 . . . . 0.0 109.157 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.71 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.298 -0.876 . . . . 0.0 109.089 179.324 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.94 -45.69 91.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.58 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.23 -43.14 96.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -0.968 . . . . 0.0 109.12 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.92 -49.64 76.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.226 -0.921 . . . . 0.0 108.96 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.27 -41.47 96.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.933 . . . . 0.0 109.15 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.67 98.39 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.168 -0.957 . . . . 0.0 109.661 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.01 -49.11 78.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.696 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.07 -49.8 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.236 -0.915 . . . . 0.0 109.335 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' B' ' 16' ' ' GLN . 63.2 tt0 -62.56 -40.09 95.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 0.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -59.96 -49.39 77.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -45.74 91.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.04 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.0 -45.46 92.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.722 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.15 -44.53 97.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.958 -1.089 . . . . 0.0 109.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.64 -40.05 80.44 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.522 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -60.01 -48.52 81.35 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.531 -0.73 . . . . 0.0 109.432 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.64 -40.64 92.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.933 . . . . 0.0 109.612 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.93 -44.54 94.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.292 -0.88 . . . . 0.0 109.483 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.658 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.291 -0.88 . . . . 0.0 109.777 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.33 -46.98 87.12 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -125.91 62.81 1.23 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.592 -0.693 . . . . 0.0 109.28 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.478 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.098 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.492 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 95.9 mt-30 -70.86 144.05 50.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.301 -0.874 . . . . 0.0 109.808 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -90.79 58.48 3.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.281 -0.887 . . . . 0.0 109.245 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 58.4 mtt-85 -68.09 -40.02 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.2 -0.937 . . . . 0.0 109.302 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.1 t -60.97 -40.71 94.44 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.283 -0.886 . . . . 0.0 109.175 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 5' ' ' THR . 63.6 tp -60.12 -43.79 95.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.05 -1.031 . . . . 0.0 108.406 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.18 -40.01 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.531 -0.73 . . . . 0.0 109.597 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.65 94.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.015 -1.053 . . . . 0.0 108.2 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.61 -45.4 85.09 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.95 -46.46 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -1.171 . . . . 0.0 109.619 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.98 -42.53 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.114 . . . . 0.0 109.07 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.34 -39.97 89.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.96 -41.95 93.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.93 . . . . 0.0 109.687 -178.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.04 -41.8 97.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.97 -1.081 . . . . 0.0 109.196 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -44.05 94.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.362 -0.836 . . . . 0.0 109.193 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.571 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 78.6 mt-30 -61.13 -42.67 98.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.208 -0.933 . . . . 0.0 109.3 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.37 -41.44 98.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.0 109.378 179.539 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD11 HD23 ' A' ' 104' ' ' LEU . 58.5 tp -60.03 -43.33 95.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.478 -0.764 . . . . 0.0 109.014 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 55.1 t0 -59.98 -49.16 78.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.692 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.99 -40.78 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -43.54 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.912 . . . . 0.0 108.95 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.89 -41.58 96.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.781 . . . . 0.0 109.049 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HE ' HD11 ' B' ' 103' ' ' LEU . 58.0 mtt-85 -60.71 -40.09 90.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.653 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.173 -0.954 . . . . 0.0 108.601 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.01 -49.13 78.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.377 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.56 -42.23 98.36 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.994 -1.067 . . . . 0.0 109.499 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.33 -41.14 96.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 109.1 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.45 -0.781 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.1 -41.04 91.66 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.04 -1.038 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -60.98 -41.68 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.2 p -62.9 -40.01 96.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.055 -1.028 . . . . 0.0 109.581 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.25 -40.05 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.419 -0.8 . . . . 0.0 109.449 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.02 -42.25 93.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -0.925 . . . . 0.0 109.746 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.0 96.32 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.2 m -59.92 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.08 -1.247 . . . . 0.0 108.968 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -60.79 -40.05 91.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.055 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.339 -0.85 . . . . 0.0 109.875 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 38' ' ' LEU . 85.3 mt -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.885 -1.135 . . . . 0.0 108.226 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.284 -0.885 . . . . 0.0 109.18 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.05 -43.01 95.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.217 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.61 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.8 mtt-85 -63.25 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.729 -1.232 . . . . 0.0 108.575 178.587 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.34 -42.9 92.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.506 -0.746 . . . . 0.0 109.531 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 p -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.971 -1.081 . . . . 0.0 109.809 -179.482 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.95 98.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.994 -1.066 . . . . 0.0 109.096 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.44 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.49 -0.756 . . . . 0.0 109.238 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.77 -41.57 97.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.125 -0.984 . . . . 0.0 109.392 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.5 m-85 -69.97 -37.88 75.91 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.893 . . . . 0.0 109.081 179.14 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.862 -1.149 . . . . 0.0 108.92 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.58 -40.28 91.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.69 -1.256 . . . . 0.0 108.194 178.572 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 3.8 tm0? -57.81 -40.09 79.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.601 -179.793 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.06 81.37 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.964 -1.085 . . . . 0.0 108.414 179.171 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.06 -39.97 87.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.771 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.6 116.49 10.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.871 -1.143 . . . . 0.0 108.672 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.0 m120 -132.87 -60.35 0.87 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.41 -0.806 . . . . 0.0 110.351 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.732 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -156.43 117.0 3.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 109.815 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.749 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 80.8 m95 -100.19 126.39 46.45 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.237 -0.915 . . . . 0.0 110.481 -179.567 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 63.23 27.97 71.47 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.002 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -78.82 23.77 0.32 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.703 -1.469 . . . . 0.0 110.113 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.61 107.98 1.77 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.751 -1.218 . . . . 0.0 110.884 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.3 12.19 23.27 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.334 -0.854 . . . . 0.0 109.904 178.467 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -133.83 23.7 3.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.201 -0.937 . . . . 0.0 108.526 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.54 152.81 34.71 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.54 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.205 -0.935 . . . . 0.0 108.548 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.93 43.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.601 -0.687 . . . . 0.0 109.382 179.463 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -129.32 134.92 48.15 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -89.13 112.65 23.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.756 -1.215 . . . . 0.0 109.586 -178.835 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' THR . 8.2 t -116.37 121.84 43.1 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.503 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 84.1 t -127.92 82.78 67.75 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.547 -0.72 . . . . 0.0 109.522 -179.054 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -85.74 60.99 5.19 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.755 2.303 . . . . 0.0 111.547 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -69.97 130.06 90.3 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.693 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.52 150.11 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.422 1.415 . . . . 0.0 110.883 179.084 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 21.2 t-20 -128.9 -42.67 1.39 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.26 -0.9 . . . . 0.0 109.936 -178.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.67 124.05 35.52 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.4 p -83.6 103.07 12.63 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.419 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.8 mt -81.07 134.77 35.72 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.361 0.6 . . . . 0.0 109.739 -178.229 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 78' ' ' THR . 13.8 t -94.98 111.41 54.52 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.459 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -93.0 -47.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.809 1.673 . . . . 0.0 114.323 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.47 -45.25 2.32 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.316 -0.865 . . . . 0.0 113.215 -177.151 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.05 -55.26 36.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.299 -1.5 . . . . 0.0 112.185 -176.377 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.71 41.33 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 119.963 -1.711 . . . . 0.0 109.8 -179.557 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.0 -48.06 83.28 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.961 . . . . 0.0 109.455 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.66 -40.69 97.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.156 -0.965 . . . . 0.0 109.67 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 81' ' ' TRP . 72.6 p -68.49 -39.87 81.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.038 -1.038 . . . . 0.0 109.424 179.596 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.521 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 57.9 t-105 -61.4 -40.22 93.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.939 -1.101 . . . . 0.0 109.225 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.02 -40.95 91.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.76 -1.213 . . . . 0.0 108.897 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 -40.12 91.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.021 -1.05 . . . . 0.0 108.987 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 53.6 t90 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 109.359 179.118 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.92 -40.05 96.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.413 -0.804 . . . . 0.0 109.26 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 91' ' ' ARG . 19.7 mmm-85 -60.14 -42.73 95.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.358 -0.839 . . . . 0.0 109.842 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.15 -42.6 95.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.935 -1.103 . . . . 0.0 109.383 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.57 -40.56 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.269 -0.895 . . . . 0.0 109.192 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.91 -46.55 88.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -61.41 -43.25 99.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.975 -1.078 . . . . 0.0 109.946 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.87 -40.99 88.01 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.059 -1.026 . . . . 0.0 109.096 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 101' ' ' THR . 41.5 tt0 -60.11 -47.0 87.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.261 -0.899 . . . . 0.0 109.0 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.0 -42.35 94.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.284 -0.885 . . . . 0.0 109.286 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.88 -40.02 91.22 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.233 -0.917 . . . . 0.0 109.665 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.76 -42.97 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 0.0 109.106 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 97' ' ' GLU . 47.3 p -61.16 -43.87 98.2 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.931 . . . . 0.0 109.684 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.455 HD11 ' HE ' ' C' ' 23' ' ' ARG . 96.0 mt -61.65 -42.49 98.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.91 . . . . 0.0 109.426 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.412 HD23 HD11 ' A' ' 18' ' ' LEU . 83.6 mt -60.23 -44.7 94.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 0.0 109.233 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 -48.87 79.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.182 -0.948 . . . . 0.0 108.855 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.19 -41.97 97.75 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.57 92.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.197 -0.939 . . . . 0.0 109.513 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.98 -49.72 76.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.19 -0.944 . . . . 0.0 109.451 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.405 -0.809 . . . . 0.0 109.282 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.57 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 64.0 tt0 -61.45 -40.34 94.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -59.93 -50.01 75.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.465 -0.772 . . . . 0.0 109.532 -179.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.96 -45.96 90.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.588 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.2 -41.35 92.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 0.0 109.903 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.99 -49.71 76.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.033 -1.042 . . . . 0.0 109.608 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.36 -40.74 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 0.0 108.692 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.597 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.5 t80 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.471 -0.768 . . . . 0.0 109.064 179.363 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.46 -39.99 89.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 109.32 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -40.28 88.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.582 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.16 -41.87 93.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.045 -1.034 . . . . 0.0 109.607 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.597 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 34.6 mttp -61.27 -40.05 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.092 -1.005 . . . . 0.0 109.888 179.35 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.72 -48.97 79.32 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -117.29 59.34 0.77 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.711 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.967 -1.083 . . . . 0.0 109.521 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.487 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 95.9 mt-30 -71.16 143.85 50.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.732 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -90.6 58.29 3.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 0.0 109.365 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.487 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 56.8 mtt-85 -67.74 -40.02 84.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.454 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.5 t -61.1 -40.79 95.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.18 179.794 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 5' ' ' THR . 63.3 tp -59.97 -43.74 94.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 108.414 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.3 -40.0 88.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.549 -0.72 . . . . 0.0 109.515 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.4 94.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.431 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.63 -45.31 85.78 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.013 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.01 -46.5 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.314 -1.109 . . . . 0.0 109.656 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.03 -42.17 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.955 -1.091 . . . . 0.0 109.046 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 109.746 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.94 -41.67 92.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -178.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -61.12 -41.95 97.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.947 -1.096 . . . . 0.0 109.074 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.94 -43.92 94.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -0.89 . . . . 0.0 109.118 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.31 -42.41 98.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -0.947 . . . . 0.0 109.297 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.69 -41.43 98.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.407 HD11 HD23 ' B' ' 104' ' ' LEU . 58.1 tp -59.95 -43.42 95.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.29 -0.881 . . . . 0.0 109.181 179.305 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.299 -0.876 . . . . 0.0 109.821 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.98 -40.99 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.976 -1.077 . . . . 0.0 109.397 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -43.74 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.211 -0.931 . . . . 0.0 108.766 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.5 -42.06 95.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.48 -0.762 . . . . 0.0 109.191 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.451 ' HE ' HD11 ' C' ' 103' ' ' LEU . 58.8 mtt-85 -60.5 -39.94 89.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.12 -39.92 87.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.17 -0.956 . . . . 0.0 108.653 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.98 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 109.335 179.32 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.99 -41.88 97.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.115 -0.991 . . . . 0.0 109.37 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.52 -41.13 96.87 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.0 109.017 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.378 -0.826 . . . . 0.0 109.889 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.25 -41.08 92.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 109.287 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.44 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.4 mt -61.08 -41.66 97.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.16 -0.962 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.7 p -62.81 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.066 -1.021 . . . . 0.0 109.545 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.18 -40.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.442 -0.786 . . . . 0.0 109.454 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.97 -42.37 94.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.781 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.55 -44.89 96.41 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -59.96 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.013 -1.286 . . . . 0.0 108.975 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.97 -39.99 91.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.934 179.3 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.454 -0.779 . . . . 0.0 109.925 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.869 -1.144 . . . . 0.0 108.132 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.93 -39.99 87.4 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.404 -0.81 . . . . 0.0 109.292 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -60.03 -42.97 95.55 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.928 -1.107 . . . . 0.0 109.216 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.602 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.1 mtt-85 -63.12 -40.07 96.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.746 -1.221 . . . . 0.0 108.523 178.464 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -42.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.478 -0.764 . . . . 0.0 109.64 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -40.03 88.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.0 -1.062 . . . . 0.0 109.799 -179.467 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.15 98.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.022 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.12 -40.01 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.763 . . . . 0.0 109.234 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.363 -178.827 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.32 -41.47 98.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.115 -0.991 . . . . 0.0 109.091 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -70.06 -37.68 75.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.105 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.03 -40.31 88.9 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.955 -1.091 . . . . 0.0 109.008 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.35 -40.25 90.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.713 -1.242 . . . . 0.0 108.108 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.17 -39.97 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.056 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.466 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 3.8 tm0? -57.81 -39.9 78.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 108.602 -179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.93 82.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.948 -1.095 . . . . 0.0 108.374 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 109.617 -179.714 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.77 116.53 11.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.893 -1.129 . . . . 0.0 108.735 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 32.9 m120 -133.05 -60.22 0.86 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.399 -0.813 . . . . 0.0 110.464 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.749 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -156.54 116.83 3.62 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -178.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.772 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 81.3 m95 -100.2 126.26 46.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.286 -0.883 . . . . 0.0 110.629 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 62.88 28.39 71.79 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.861 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -78.83 23.8 0.32 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.753 -1.439 . . . . 0.0 110.027 -179.535 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.64 108.3 1.79 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.781 -1.199 . . . . 0.0 110.804 179.56 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -110.58 12.06 22.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.245 -0.909 . . . . 0.0 109.71 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -133.72 23.68 3.98 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.108 -0.995 . . . . 0.0 108.473 178.451 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.3 153.1 35.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 t -101.95 57.62 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.111 -0.993 . . . . 0.0 108.455 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.12 157.92 43.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.601 -0.687 . . . . 0.0 109.335 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -129.26 134.88 48.16 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.714 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.617 HG23 ' O ' ' B' ' 68' ' ' THR . 8.8 t -88.92 112.63 23.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.715 -1.241 . . . . 0.0 109.502 -178.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.515 HG23 ' O ' ' B' ' 69' ' ' THR . 8.1 t -116.47 121.73 42.7 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.716 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.456 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 84.4 t -127.8 82.89 67.49 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.418 -0.801 . . . . 0.0 109.534 -178.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.88 61.36 5.12 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 122.842 2.361 . . . . 0.0 111.556 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -70.29 130.44 89.41 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.706 -0.621 . . . . 0.0 109.543 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -40.78 150.51 0.13 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.447 1.431 . . . . 0.0 111.047 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 21.1 t-20 -129.38 -42.49 1.33 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.209 -0.932 . . . . 0.0 110.002 -178.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.05 123.88 35.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 6.8 p -83.56 103.05 12.58 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 mt -81.21 134.69 35.66 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.296 0.57 . . . . 0.0 109.685 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.654 HG23 ' O ' ' B' ' 78' ' ' THR . 14.0 t -94.91 111.29 53.95 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.57 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -92.96 -47.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.667 1.578 . . . . 0.0 114.293 -179.273 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.52 -45.42 2.31 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.194 -0.941 . . . . 0.0 113.203 -177.158 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -59.96 -55.13 37.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.326 -1.484 . . . . 0.0 112.199 -176.34 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 9.3 t-20 -79.5 -35.46 40.11 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 119.93 -1.731 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.03 -47.95 83.71 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.144 -0.973 . . . . 0.0 109.486 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.78 -40.66 97.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.051 -1.031 . . . . 0.0 109.671 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.5 p -68.48 -39.96 81.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 109.329 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.517 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 57.7 t-105 -61.5 -40.12 93.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.944 -1.098 . . . . 0.0 109.146 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.01 -41.1 91.42 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.882 -1.136 . . . . 0.0 108.848 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.74 -40.14 91.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.126 -0.984 . . . . 0.0 108.958 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.517 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.1 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.375 -0.828 . . . . 0.0 109.312 179.122 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.39 -40.57 96.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.49 -0.757 . . . . 0.0 109.297 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.407 HH11 ' HG3' ' B' ' 91' ' ' ARG . 19.8 mmm-85 -60.07 -42.49 94.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 109.867 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.24 -42.63 95.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.934 -1.104 . . . . 0.0 109.464 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -40.31 88.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.0 109.172 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.04 -46.55 89.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.858 . . . . 0.0 110.057 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -61.37 -43.17 99.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.897 -1.127 . . . . 0.0 109.976 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.85 -41.1 87.9 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.077 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.42 ' O ' HG23 ' B' ' 101' ' ' THR . 41.1 tt0 -60.11 -46.4 89.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.0 109.086 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.7 -42.15 96.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.312 -0.867 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.01 -39.96 90.7 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.271 -0.893 . . . . 0.0 109.68 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.78 -42.77 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 0.0 109.083 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 97' ' ' GLU . 46.8 p -61.59 -43.63 98.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.736 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.456 HD11 ' HE ' ' A' ' 23' ' ' ARG . 96.1 mt -61.76 -41.9 98.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.407 HD23 HD11 ' B' ' 18' ' ' LEU . 83.3 mt -60.67 -44.65 96.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.011 -1.055 . . . . 0.0 109.14 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -49.11 78.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.163 -0.96 . . . . 0.0 108.82 179.616 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.17 -41.58 97.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 109.396 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.37 93.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.26 -0.9 . . . . 0.0 109.522 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -49.94 75.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.256 -0.903 . . . . 0.0 109.386 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.04 -50.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.38 -0.825 . . . . 0.0 109.361 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.571 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 64.1 tt0 -61.29 -40.31 93.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 0.0 109.173 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -59.98 -49.96 75.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.425 -0.797 . . . . 0.0 109.564 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.11 -45.94 91.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -0.88 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.262 -0.899 . . . . 0.0 109.802 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.011 -1.056 . . . . 0.0 109.67 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.45 -40.58 96.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 0.0 108.821 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 116' ' ' TYR . . . . . 0.589 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 71.1 t80 -60.02 -49.95 75.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.447 -0.783 . . . . 0.0 108.961 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.223 -0.923 . . . . 0.0 109.231 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.98 -40.25 88.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.383 -0.823 . . . . 0.0 109.649 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.9 mt-30 -60.24 -41.73 93.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 109.673 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 120' ' ' LYS . . . . . 0.589 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 34.8 mttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.223 -0.923 . . . . 0.0 109.913 179.3 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.79 -49.22 78.5 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -117.0 58.79 0.77 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.44 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.007 -1.058 . . . . 0.0 109.42 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.487 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 96.1 mt-30 -70.89 144.21 50.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.341 -0.85 . . . . 0.0 109.749 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p -91.09 58.46 3.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 109.293 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.487 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 56.9 mtt-85 -67.81 -39.95 83.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.65 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.449 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.1 t -61.39 -40.43 94.32 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.449 ' N ' HG23 ' C' ' 5' ' ' THR . 63.4 tp -60.25 -43.69 95.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.967 . . . . 0.0 108.41 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.26 -40.01 88.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.668 -0.645 . . . . 0.0 109.65 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.33 94.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.023 -1.048 . . . . 0.0 108.351 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.84 87.67 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.124 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.334 -1.098 . . . . 0.0 109.753 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.09 -42.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.42 -39.94 89.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 179.095 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -41.81 93.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.0 109.8 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -61.1 -41.77 97.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.915 -1.116 . . . . 0.0 109.13 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -43.78 95.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.218 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.57 ' NE2' ' OE1' ' A' ' 110' ' ' GLN . 78.6 mt-30 -61.48 -42.35 98.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.914 . . . . 0.0 109.257 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -41.23 97.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -0.867 . . . . 0.0 109.183 179.36 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.422 HD11 HD23 ' C' ' 104' ' ' LEU . 58.0 tp -60.04 -43.48 95.31 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.24 -0.912 . . . . 0.0 109.056 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.04 -48.8 80.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.263 -0.898 . . . . 0.0 109.749 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.05 -40.76 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.004 -1.06 . . . . 0.0 109.413 -179.764 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -43.38 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.231 -0.918 . . . . 0.0 108.991 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.35 -41.07 96.45 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.543 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.455 ' HE ' HD11 ' A' ' 103' ' ' LEU . 57.8 mtt-85 -61.28 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.457 -0.777 . . . . 0.0 109.587 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.03 -40.05 87.98 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.523 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 0.0 109.376 179.444 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.83 -42.05 97.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 0.0 109.37 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.48 -41.2 96.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.473 -0.767 . . . . 0.0 108.99 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.05 -40.32 89.03 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.28 -40.28 89.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -61.69 -41.55 97.74 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -62.85 -39.98 96.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 109.58 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.28 -39.98 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.437 -0.789 . . . . 0.0 109.399 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.01 -42.36 94.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.837 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.91 96.31 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.896 -1.355 . . . . 0.0 109.052 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.9 -39.87 90.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.013 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -60.09 -40.03 88.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 109.829 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.96 -39.9 87.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.937 -1.102 . . . . 0.0 108.202 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.128 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 49.7 p -60.11 -43.05 95.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.872 -1.143 . . . . 0.0 109.039 -179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.601 HH22 ' CG ' ' A' ' 82' ' ' ASN . 46.3 mtt-85 -63.2 -40.09 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.441 178.694 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.41 -42.85 92.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.436 -0.79 . . . . 0.0 109.618 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.979 -1.076 . . . . 0.0 109.837 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.03 98.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.009 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.35 -39.85 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.524 -0.735 . . . . 0.0 109.256 179.195 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -40.73 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.967 . . . . 0.0 109.275 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.52 -41.69 97.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.097 -1.002 . . . . 0.0 109.293 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -69.97 -37.71 75.87 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 109.235 179.181 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.08 -40.32 89.13 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.91 -1.119 . . . . 0.0 108.836 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.28 -40.53 90.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.654 -1.279 . . . . 0.0 108.148 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.09 -39.98 87.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.539 -0.726 . . . . 0.0 109.066 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.478 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 3.7 tm0? -57.81 -39.87 78.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.126 -0.984 . . . . 0.0 108.464 -179.776 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.12 82.66 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.984 -1.073 . . . . 0.0 108.428 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.878 . . . . 0.0 109.786 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.64 116.47 10.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.889 -1.132 . . . . 0.0 108.684 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.1 m120 -132.93 -60.2 0.87 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.422 -0.799 . . . . 0.0 110.366 -179.484 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.772 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -156.46 117.0 3.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.283 -0.886 . . . . 0.0 109.946 -179.063 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.732 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 81.3 m95 -100.1 126.43 46.33 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.305 -0.872 . . . . 0.0 110.58 -179.661 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 62.86 28.22 71.46 Favored Glycine 0 N--CA 1.492 2.423 0 C-N-CA 120.22 -0.991 . . . . 0.0 111.012 178.406 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -78.85 23.89 0.32 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.747 -1.443 . . . . 0.0 110.071 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.58 107.78 1.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.709 -1.245 . . . . 0.0 110.892 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.14 12.09 23.56 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.234 -0.916 . . . . 0.0 109.882 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -133.79 23.76 3.95 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.44 152.54 34.44 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -101.35 57.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.166 -0.959 . . . . 0.0 108.624 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.2 158.04 43.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.618 -0.676 . . . . 0.0 109.368 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -129.41 134.99 48.13 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.619 HG23 ' O ' ' C' ' 68' ' ' THR . 9.0 t -89.02 112.5 23.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.784 -1.197 . . . . 0.0 109.577 -178.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.508 HG23 ' O ' ' C' ' 69' ' ' THR . 8.1 t -116.22 121.94 43.55 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 85.4 t -127.92 82.78 67.74 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.446 -0.784 . . . . 0.0 109.549 -179.024 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.72 61.06 5.22 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.849 2.366 . . . . 0.0 111.58 179.425 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -70.09 130.2 89.96 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.675 -0.641 . . . . 0.0 109.668 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -40.7 150.21 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.424 1.416 . . . . 0.0 111.021 179.008 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 21.4 t-20 -129.05 -42.65 1.37 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.214 -0.929 . . . . 0.0 110.011 -178.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 123.93 35.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.233 -179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 6.5 p -83.77 102.9 12.63 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.91 134.73 35.78 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.407 0.622 . . . . 0.0 109.694 -178.206 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.669 HG23 ' O ' ' C' ' 78' ' ' THR . 14.1 t -95.1 111.36 54.51 Favored Pre-proline 0 N--CA 1.492 1.636 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -93.02 -47.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.014 0 C-N-CA 121.673 1.582 . . . . 0.0 114.243 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.19 -45.59 2.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.299 -0.876 . . . . 0.0 113.273 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.3 p90 -60.02 -55.12 37.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.174 -1.578 . . . . 0.0 112.278 -176.374 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.72 41.3 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 119.916 -1.74 . . . . 0.0 109.709 -179.611 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.04 -47.85 84.15 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.126 -0.984 . . . . 0.0 109.357 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.96 -40.58 98.11 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.067 -1.021 . . . . 0.0 109.696 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.452 HG23 ' O ' ' C' ' 81' ' ' TRP . 72.3 p -68.45 -39.92 81.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.95 -1.094 . . . . 0.0 109.377 179.491 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.522 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 58.2 t-105 -61.42 -40.25 93.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 109.086 -179.679 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.02 -40.96 91.1 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.831 -1.168 . . . . 0.0 108.944 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.78 -40.08 91.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.105 -0.997 . . . . 0.0 108.879 179.475 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.522 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 53.0 t90 -60.04 -49.96 75.62 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.249 -0.907 . . . . 0.0 109.38 179.159 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.67 -40.11 96.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.469 -0.769 . . . . 0.0 109.226 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 91' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' C' ' 91' ' ' ARG . 19.4 mmm-85 -60.24 -42.6 95.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.285 -0.885 . . . . 0.0 109.885 -179.816 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.19 -42.72 95.68 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.968 -1.082 . . . . 0.0 109.48 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.42 -40.38 87.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.12 -0.987 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.92 -46.38 89.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.197 -0.939 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -61.85 -43.1 99.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.937 -1.102 . . . . 0.0 109.857 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.82 -41.06 88.11 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.071 -1.018 . . . . 0.0 109.015 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.418 ' O ' HG23 ' C' ' 101' ' ' THR . 41.2 tt0 -60.26 -46.51 89.56 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 0.0 109.029 179.521 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.44 -42.49 96.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.337 -0.852 . . . . 0.0 109.181 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -65.48 -40.42 93.1 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.227 -0.921 . . . . 0.0 109.749 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.71 -42.23 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 109.197 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 97' ' ' GLU . 46.3 p -62.01 -43.54 98.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.153 -0.967 . . . . 0.0 109.568 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.48 77.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.451 HD11 ' HE ' ' B' ' 23' ' ' ARG . 96.1 mt -61.48 -42.38 98.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 109.511 -179.758 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.422 HD23 HD11 ' C' ' 18' ' ' LEU . 83.4 mt -60.41 -44.5 95.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.007 -1.058 . . . . 0.0 109.128 179.343 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -48.95 79.6 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.181 -0.95 . . . . 0.0 108.908 179.666 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.2 -42.09 97.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.295 -0.878 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.5 92.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.02 -49.84 76.1 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.209 -0.932 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.11 -49.93 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.285 -0.884 . . . . 0.0 109.507 179.536 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.45 -40.19 93.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.477 -179.724 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -46.12 90.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.221 -0.924 . . . . 0.0 109.537 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.23 -41.28 92.76 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 109.735 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -60.99 -49.8 75.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.975 -1.078 . . . . 0.0 109.531 179.681 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.33 -40.65 96.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 108.835 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 116' ' ' TYR . . . . . 0.587 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 70.8 t80 -59.96 -50.06 75.25 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.368 -0.832 . . . . 0.0 109.008 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.124 -0.985 . . . . 0.0 109.4 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.09 -40.22 88.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.421 -0.799 . . . . 0.0 109.684 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.01 -42.92 95.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 120' ' ' LYS . . . . . 0.587 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 34.4 mttp -60.0 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.049 -1.032 . . . . 0.0 110.252 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.12 -48.84 80.14 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -117.28 59.13 0.77 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.612 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.433 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.712 0 O-C-N 120.977 -1.077 . . . . 0.0 109.426 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.271 0.558 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -71.36 144.73 49.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 0.0 109.317 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -89.17 57.52 4.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.166 -0.958 . . . . 0.0 109.191 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.797 HH12 ' H ' ' A' ' 122' ' ' ASN . 43.9 mtp180 -63.51 -39.77 95.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.38 -0.825 . . . . 0.0 109.634 179.353 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.6 t -59.6 -43.36 93.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.159 -0.963 . . . . 0.0 108.783 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 5' ' ' THR . 63.4 tp -62.49 -40.95 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.052 -1.03 . . . . 0.0 108.504 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.43 -37.58 80.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.682 -0.636 . . . . 0.0 109.342 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.97 90.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.15 62.49 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -59.64 -50.07 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.578 -0.954 . . . . 0.0 109.415 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.85 -44.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.119 -0.988 . . . . 0.0 108.691 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.15 -40.32 93.42 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.307 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.73 -41.88 91.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.464 -0.772 . . . . 0.0 109.644 -179.055 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.98 -40.59 93.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 109.539 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -60.09 -46.26 90.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 109.999 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -60.49 -41.28 93.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.564 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.58 -41.71 98.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.042 -1.036 . . . . 0.0 109.001 179.122 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.9 -45.75 91.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.256 -0.902 . . . . 0.0 109.452 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.31 -0.869 . . . . 0.0 109.623 -179.088 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.12 -41.31 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 109.088 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -49.46 83.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.201 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -61.7 -40.29 94.47 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.743 0.783 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.576 ' NH2' HD21 ' B' ' 99' ' ' ASN . 11.4 tpp180 -60.71 -39.44 88.58 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.03 -39.52 86.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.109 -0.995 . . . . 0.0 108.562 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -60.18 -42.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.399 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -67.18 -40.7 86.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.62 -1.3 . . . . 0.0 109.353 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.28 -41.07 92.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.121 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.0 -38.91 84.02 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.51 HH22 ' CD ' ' A' ' 97' ' ' GLU . 49.5 mtt-85 -60.07 -40.89 91.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.93 -1.106 . . . . 0.0 108.846 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 79.8 mt -62.23 -41.63 98.58 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.226 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.9 p -63.51 -39.63 94.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 109.606 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.62 -40.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -59.57 -43.48 93.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -45.12 96.01 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.5 m -60.19 -50.09 75.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -1.142 . . . . 0.0 108.803 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.11 -40.13 92.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 178.697 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -59.56 -40.32 86.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.481 -0.762 . . . . 0.0 109.101 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.51 -39.42 87.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.711 -1.243 . . . . 0.0 108.758 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.36 -39.47 87.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.138 -0.976 . . . . 0.0 109.089 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.5 p -60.34 -43.46 96.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.025 -1.047 . . . . 0.0 108.939 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.547 HH22 ' CG ' ' B' ' 82' ' ' ASN . 55.3 mtt-85 -62.24 -39.99 94.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.743 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.12 -45.08 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.592 -0.693 . . . . 0.0 109.956 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -60.13 -39.8 87.55 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.61 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.53 99.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.97 -1.081 . . . . 0.0 108.449 178.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.31 -39.63 81.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.064 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.53 -40.33 91.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.527 -178.226 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.03 -39.99 95.32 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.596 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 62.1 m-85 -69.78 -38.43 76.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.333 -0.854 . . . . 0.0 109.436 179.492 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.449 HD22 HE22 ' C' ' 52' ' ' GLN . 55.3 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 179.648 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.836 -1.165 . . . . 0.0 108.918 179.145 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.22 -39.83 91.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.637 -0.664 . . . . 0.0 109.992 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.436 HE22 HD22 ' B' ' 49' ' ' LEU . 26.0 mt-30 -60.28 -39.82 88.25 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.93 -1.106 . . . . 0.0 109.801 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.77 78.66 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.1 -38.19 82.23 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.502 -0.749 . . . . 0.0 109.053 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.46 115.74 7.42 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 26.6 m120 -133.14 -60.22 0.86 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.51 -0.744 . . . . 0.0 111.001 -179.028 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.687 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.12 116.98 4.11 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.943 -1.098 . . . . 0.0 110.812 -178.553 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.692 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 86.1 m95 -100.33 120.16 39.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.297 -0.877 . . . . 0.0 110.491 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 67.01 28.77 73.92 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.067 -1.063 . . . . 0.0 110.983 178.671 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.484 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.92 22.68 0.18 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.731 -1.452 . . . . 0.0 109.655 -179.2 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.58 113.15 2.0 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.021 -1.05 . . . . 0.0 110.29 179.041 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -109.01 12.29 25.34 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 178.495 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -131.23 23.27 4.84 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.092 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -149.82 151.87 34.23 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 t -103.16 59.0 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.177 -0.952 . . . . 0.0 108.742 179.277 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.77 158.1 43.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -128.66 132.46 48.08 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 68' ' ' THR . 7.6 t -89.99 113.05 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.723 -1.236 . . . . 0.0 109.437 -178.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.26 119.68 39.73 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 66.7 t -122.32 85.53 47.45 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.7 -0.625 . . . . 0.0 109.591 -179.138 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -86.65 63.35 4.64 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.899 2.399 . . . . 0.0 111.645 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 28.0 t90 -69.87 132.35 88.77 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.501 -0.749 . . . . 0.0 109.502 -179.4 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.6 Cg_exo -38.47 149.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.634 1.556 . . . . 0.0 111.087 179.463 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 1.2 t30 -130.46 -46.65 1.08 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.151 -0.968 . . . . 0.0 109.826 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.5 123.27 35.68 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.4 p -83.14 106.07 14.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.2 mt -82.79 134.38 35.12 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.42 0.629 . . . . 0.0 109.409 -178.296 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 78' ' ' THR . 15.2 t -92.33 112.41 55.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.606 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -92.64 -48.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.432 1.421 . . . . 0.0 114.532 -178.424 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.4 -45.35 2.33 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.171 -0.955 . . . . 0.0 113.062 -177.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.55 32.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.253 -1.529 . . . . 0.0 112.738 -176.149 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.5 t-20 -76.38 -39.74 52.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 119.976 -1.702 . . . . 0.0 109.749 -179.275 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.12 -45.18 93.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.57 -42.08 95.91 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.001 . . . . 0.0 108.498 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 p -68.7 -39.94 80.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.197 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -61.52 -39.81 92.38 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.79 92.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.013 -1.054 . . . . 0.0 108.668 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -41.83 97.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.917 -1.115 . . . . 0.0 108.561 178.238 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.9 t90 -60.07 -49.45 77.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.921 . . . . 0.0 109.675 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.58 -40.52 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.086 -1.009 . . . . 0.0 109.835 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.89 -40.69 87.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -60.39 -41.07 93.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.806 -1.184 . . . . 0.0 108.677 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.9 -40.46 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.177 -0.952 . . . . 0.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.53 -40.84 96.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.597 -0.69 . . . . 0.0 110.71 -179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.75 -39.97 84.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.713 -1.242 . . . . 0.0 109.001 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.32 -40.26 93.49 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.51 ' CD ' HH22 ' A' ' 29' ' ' ARG . 40.9 tt0 -60.26 -48.77 80.32 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -0.95 . . . . 0.0 109.275 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.0 93.35 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.604 HD21 ' NH2' ' C' ' 23' ' ' ARG . 39.9 t-20 -64.65 -44.92 88.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.1 -41.87 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.139 -0.975 . . . . 0.0 109.34 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 97' ' ' GLU . 41.6 p -60.81 -41.0 94.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 179.57 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.34 77.92 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.15 -0.969 . . . . 0.0 108.866 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD11 HH21 ' C' ' 23' ' ' ARG . 87.3 mt -60.32 -43.1 96.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.443 -0.786 . . . . 0.0 109.601 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.85 -41.27 95.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.215 -0.928 . . . . 0.0 108.785 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.07 -44.56 97.19 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.576 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' A' ' 110' ' ' GLN . 99.4 mt-10 -64.66 -40.07 94.78 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.151 -0.968 . . . . 0.0 109.394 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.39 96.23 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.494 -0.754 . . . . 0.0 109.79 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.83 -45.73 91.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.57 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.88 -49.19 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLU . 1.8 mp0 -67.0 -40.26 87.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.87 -1.144 . . . . 0.0 109.799 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.03 -49.05 79.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.341 -0.849 . . . . 0.0 109.376 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.86 -41.78 97.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 0.0 109.293 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -61.68 -40.51 95.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.06 -1.025 . . . . 0.0 109.576 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.43 -44.87 95.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.053 -1.029 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -68.94 -39.91 79.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.175 -0.953 . . . . 0.0 108.617 179.248 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.18 -45.6 92.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.258 179.369 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.34 -39.51 87.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 109.621 179.299 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.446 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 42.2 tp -59.42 -40.35 86.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 108.826 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.02 -39.83 94.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.969 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.84 -34.27 72.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.113 . . . . 0.0 109.816 -179.216 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 63.8 mt -54.4 -48.57 71.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.737 -1.227 . . . . 0.0 108.872 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.797 ' H ' HH12 ' A' ' 4' ' ' ARG . 6.9 t-20 -129.25 63.01 1.51 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.103 -0.998 . . . . 0.0 109.175 179.322 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.41 179.835 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 121.395 0.616 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.63 144.78 49.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.022 -1.049 . . . . 0.0 109.23 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -89.03 57.42 4.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.872 . . . . 0.0 109.105 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.784 HH12 ' H ' ' B' ' 122' ' ' ASN . 44.4 mtp180 -63.53 -39.65 94.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.486 -0.759 . . . . 0.0 109.683 179.218 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.535 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.8 t -59.89 -43.34 94.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.189 -0.944 . . . . 0.0 108.588 -179.545 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.535 ' N ' HG23 ' B' ' 5' ' ' THR . 63.9 tp -62.68 -40.73 98.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 108.494 178.686 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.41 -37.73 80.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.033 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.79 89.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -47.75 62.82 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 178.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.49 -49.6 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.531 -0.982 . . . . 0.0 109.35 179.355 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -43.96 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.081 -1.012 . . . . 0.0 108.59 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.72 -40.92 94.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 108.881 178.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.61 -41.6 90.73 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.629 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.38 -40.21 93.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.113 -0.992 . . . . 0.0 109.789 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -60.35 -46.1 91.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 109.915 -179.46 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.77 -41.71 96.03 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.03 -1.043 . . . . 0.0 109.689 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.09 -41.26 99.37 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.64 -44.92 95.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.328 -0.857 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.49 -47.4 86.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.731 -179.265 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.28 -41.42 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.316 -0.953 . . . . 0.0 109.134 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.69 -49.59 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.368 -0.832 . . . . 0.0 108.901 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.6 -40.11 93.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.458 -0.776 . . . . 0.0 108.991 179.276 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.584 ' NH2' HD21 ' C' ' 99' ' ' ASN . 11.3 tpp180 -60.83 -39.11 87.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 109.037 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.22 -39.32 86.22 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.309 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -59.77 -42.5 93.43 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 109.593 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.77 -40.12 84.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.773 -1.204 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.49 -40.61 91.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.294 -0.878 . . . . 0.0 109.003 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.55 -39.03 86.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.697 -0.627 . . . . 0.0 109.472 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.516 HH22 ' CD ' ' B' ' 97' ' ' GLU . 51.3 mtt-85 -60.14 -40.57 90.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.154 -0.966 . . . . 0.0 108.923 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.7 mt -62.5 -41.25 98.69 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.051 -1.031 . . . . 0.0 109.236 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 54.5 p -63.76 -40.41 96.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.163 -0.961 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.7 -40.18 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 108.914 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.08 -42.91 95.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.523 -0.736 . . . . 0.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.13 96.42 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 109.778 -179.392 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.892 -1.358 . . . . 0.0 109.111 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -40.56 94.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.615 178.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -58.91 -40.67 85.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.152 -0.967 . . . . 0.0 109.262 -179.686 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -40.38 86.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.759 -1.213 . . . . 0.0 108.64 179.351 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.89 -40.35 88.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.237 -0.914 . . . . 0.0 108.977 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -59.67 -44.06 93.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.824 -1.172 . . . . 0.0 109.1 -179.454 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.528 HH22 ' CG ' ' C' ' 82' ' ' ASN . 55.3 mtt-85 -61.68 -40.33 94.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.906 -1.121 . . . . 0.0 108.585 178.474 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.98 -44.64 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.594 -0.691 . . . . 0.0 110.037 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -60.17 -40.36 89.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.707 -1.245 . . . . 0.0 109.546 -179.315 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.84 99.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.016 -1.052 . . . . 0.0 108.544 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.11 -39.93 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.79 -40.56 88.74 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.829 -178.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.13 -40.18 95.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.373 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -69.76 -38.42 76.75 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.141 -0.974 . . . . 0.0 109.481 179.312 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.436 HD22 HE22 ' A' ' 52' ' ' GLN . 57.6 mt -59.78 -41.21 90.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.0 109.476 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.76 -40.29 91.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.94 -1.1 . . . . 0.0 108.685 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.15 -40.44 89.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.705 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.448 HE22 HD22 ' C' ' 49' ' ' LEU . 27.1 mt-30 -60.37 -39.65 87.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.743 -1.223 . . . . 0.0 109.553 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -58.81 -38.53 78.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.142 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.24 -38.59 83.92 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.32 116.46 8.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 108.347 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 28.6 m120 -133.43 -60.45 0.84 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.436 -0.79 . . . . 0.0 111.114 -179.017 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.692 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.98 117.3 4.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.031 -1.043 . . . . 0.0 110.662 -178.557 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.711 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 85.5 m95 -100.46 120.49 40.07 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.467 -0.771 . . . . 0.0 110.294 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 65.94 29.16 74.45 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.322 -0.942 . . . . 0.0 110.948 178.542 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.485 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -76.88 23.04 0.18 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.771 -1.429 . . . . 0.0 109.52 -179.463 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.19 113.44 2.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.939 -1.101 . . . . 0.0 110.21 178.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -109.6 12.49 24.28 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.304 -0.873 . . . . 0.0 109.665 178.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -131.76 23.43 4.65 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.108 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -150.01 152.22 34.55 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.473 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 t -103.78 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.167 -0.958 . . . . 0.0 108.691 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.16 158.01 43.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.451 -0.781 . . . . 0.0 110.035 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -128.83 132.86 47.84 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.57 HG23 ' O ' ' B' ' 68' ' ' THR . 9.5 t -90.16 112.67 24.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.712 -1.243 . . . . 0.0 109.685 -178.703 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.92 118.66 36.71 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.506 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 66.8 t -120.93 85.79 40.78 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.509 -0.744 . . . . 0.0 109.424 -179.331 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.7 62.61 4.53 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.996 2.464 . . . . 0.0 111.649 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' B' ' 73' ' ' PRO . 29.6 t90 -69.85 132.78 88.57 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.459 -0.775 . . . . 0.0 109.399 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' B' ' 72' ' ' TRP . 90.2 Cg_exo -38.99 149.75 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 121.708 1.606 . . . . 0.0 110.969 179.38 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.562 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 1.2 t30 -130.47 -45.32 1.09 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.331 -0.855 . . . . 0.0 109.84 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.58 123.56 36.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 108.834 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -83.34 106.06 14.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.73 134.33 35.14 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.479 0.657 . . . . 0.0 109.334 -178.075 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.643 HG23 ' O ' ' B' ' 78' ' ' THR . 15.3 t -92.25 112.31 54.55 Favored Pre-proline 0 N--CA 1.491 1.621 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -92.74 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.462 1.442 . . . . 0.0 114.631 -178.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -121.72 -45.28 2.29 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.321 -0.862 . . . . 0.0 112.967 -177.122 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -60.31 -55.86 28.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.512 -1.368 . . . . 0.0 112.591 -176.183 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 6.6 t-20 -76.09 -40.01 54.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.943 -1.723 . . . . 0.0 109.766 -179.194 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.96 -45.45 92.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.206 -0.934 . . . . 0.0 109.688 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -42.62 94.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.883 -1.136 . . . . 0.0 108.584 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 61.2 p -68.47 -39.97 81.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.07 179.524 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -61.18 -40.29 93.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.012 -1.055 . . . . 0.0 108.835 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.14 -42.11 89.9 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.316 -0.954 . . . . 0.0 108.792 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -41.77 97.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.981 -1.075 . . . . 0.0 108.735 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.479 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.6 t90 -60.12 -49.77 76.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.685 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.305 -0.872 . . . . 0.0 109.472 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -66.38 -40.35 89.64 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.368 -0.833 . . . . 0.0 110.154 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -60.0 -42.74 94.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.932 -1.105 . . . . 0.0 108.532 179.155 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.51 -40.98 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.281 -0.887 . . . . 0.0 109.027 178.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -61.11 -40.77 95.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.256 -0.903 . . . . 0.0 110.927 -179.238 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -67.82 -40.25 83.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.636 -1.29 . . . . 0.0 108.928 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.68 -40.87 96.15 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.746 . . . . 0.0 109.377 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.516 ' CD ' HH22 ' B' ' 29' ' ' ARG . 40.3 tt0 -60.05 -49.0 79.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.854 . . . . 0.0 109.187 179.621 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.07 -40.39 93.47 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.211 -0.931 . . . . 0.0 109.192 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.576 HD21 ' NH2' ' A' ' 23' ' ' ARG . 39.3 t-20 -64.51 -44.97 89.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.17 -42.11 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.084 -1.01 . . . . 0.0 109.397 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 97' ' ' GLU . 44.8 p -60.75 -40.89 94.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.19 78.5 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.125 -0.984 . . . . 0.0 109.175 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.55 -44.11 96.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 0.0 109.566 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.59 -41.82 98.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.153 -0.967 . . . . 0.0 108.957 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -60.9 -43.76 98.05 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.296 -0.878 . . . . 0.0 109.325 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 110' ' ' GLN . 98.1 mt-10 -64.72 -40.63 95.67 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.042 -1.036 . . . . 0.0 109.032 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.434 -0.791 . . . . 0.0 109.876 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.999 -1.063 . . . . 0.0 109.365 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.99 -49.63 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.769 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 106' ' ' GLU . 1.8 mp0 -67.5 -39.94 85.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.135 -0.978 . . . . 0.0 109.691 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.23 -48.93 79.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.009 -1.057 . . . . 0.0 109.487 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.59 -41.81 98.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.39 -0.819 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -61.01 -40.78 94.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.095 -1.003 . . . . 0.0 109.394 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -60.58 -44.54 96.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.992 -1.068 . . . . 0.0 109.252 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.4 ttt -69.27 -39.97 78.07 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.577 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.6 -45.02 95.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.887 . . . . 0.0 109.26 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.34 -39.6 87.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.321 -0.862 . . . . 0.0 109.58 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.451 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 42.9 tp -59.73 -39.98 86.5 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.117 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.19 -39.87 94.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.268 -0.895 . . . . 0.0 109.923 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -59.74 -34.69 73.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.091 -1.006 . . . . 0.0 109.796 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 65.6 mt -54.2 -48.45 70.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.762 -1.211 . . . . 0.0 109.088 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 122' ' ' ASN . . . . . 0.784 ' H ' HH12 ' B' ' 4' ' ' ARG . 7.3 t-20 -129.3 63.11 1.51 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.216 -0.927 . . . . 0.0 108.97 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.361 179.986 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.01 145.02 50.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 0.0 108.984 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -88.96 57.69 4.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.874 -1.141 . . . . 0.0 109.349 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.812 HH12 ' H ' ' C' ' 122' ' ' ASN . 42.7 mtp180 -64.05 -39.44 94.1 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 110.123 179.311 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.54 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.5 -43.43 93.34 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.203 -0.936 . . . . 0.0 108.66 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.54 ' N ' HG23 ' C' ' 5' ' ' THR . 63.9 tp -62.39 -41.04 98.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.949 -1.095 . . . . 0.0 108.399 178.725 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.05 -37.63 81.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.367 -0.833 . . . . 0.0 109.229 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.23 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.64 -47.65 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.93 -50.06 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.524 -0.986 . . . . 0.0 109.394 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.17 -44.29 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.003 -1.061 . . . . 0.0 108.64 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.95 -40.29 92.75 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -59.23 -42.35 90.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 110.045 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -61.08 -40.48 93.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 109.727 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.02 -46.65 88.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.13 -42.29 94.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.536 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.38 -41.63 98.78 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.924 -1.11 . . . . 0.0 109.101 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.58 -45.22 94.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.352 -0.842 . . . . 0.0 109.268 -179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.62 -47.73 84.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.27 -41.05 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.354 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.3 -49.62 83.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.465 -0.772 . . . . 0.0 109.028 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.58 -40.41 94.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.815 -0.754 . . . . 0.0 108.997 179.101 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.604 ' NH2' HD21 ' A' ' 99' ' ' ASN . 11.5 tpp180 -59.5 -40.29 86.57 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.451 -0.78 . . . . 0.0 109.193 179.494 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.78 -39.39 84.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 108.938 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.09 -42.29 94.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.219 -0.925 . . . . 0.0 109.688 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.82 -40.31 83.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.754 -1.217 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 36.7 tp -59.92 -41.25 91.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.453 -0.78 . . . . 0.0 109.21 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.29 -38.62 84.17 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.611 -0.681 . . . . 0.0 109.345 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' C' ' 97' ' ' GLU . 50.2 mtt-85 -60.16 -40.49 90.09 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.117 -0.99 . . . . 0.0 108.884 -179.236 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 81.2 mt -62.5 -40.99 98.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.038 -1.039 . . . . 0.0 109.399 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 50.1 p -63.93 -40.29 96.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.178 -0.951 . . . . 0.0 109.455 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.82 -40.38 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -59.95 -43.56 94.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.19 95.44 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.924 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.3 -49.88 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.806 -1.408 . . . . 0.0 109.103 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.55 -40.15 93.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.45 -0.781 . . . . 0.0 109.458 179.023 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -59.07 -40.89 86.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.471 -0.768 . . . . 0.0 109.118 -179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.67 -40.03 86.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.841 -1.162 . . . . 0.0 108.71 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.23 -40.28 89.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 108.834 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 57.0 p -59.72 -43.72 94.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.953 -1.092 . . . . 0.0 109.063 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.52 HH22 ' CG ' ' A' ' 82' ' ' ASN . 54.1 mtt-85 -62.35 -39.36 92.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.995 -1.065 . . . . 0.0 108.81 178.437 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.94 -44.54 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.607 -0.683 . . . . 0.0 109.739 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -60.01 -40.89 90.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.773 -1.204 . . . . 0.0 109.457 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.63 99.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.976 -1.077 . . . . 0.0 108.78 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.33 -39.54 81.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.89 -40.67 89.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 0.0 109.603 -178.517 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.98 -40.33 96.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.791 -1.193 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.3 m-85 -69.81 -38.03 76.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.0 109.385 179.476 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.448 HD22 HE22 ' B' ' 52' ' ' GLN . 56.0 mt -60.11 -41.09 91.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.617 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.46 -40.34 90.84 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.042 -1.036 . . . . 0.0 108.678 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.49 -40.31 90.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 110.441 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.449 HE22 HD22 ' A' ' 49' ' ' LEU . 26.8 mt-30 -60.21 -39.98 88.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.604 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.06 78.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.096 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.3 -38.26 83.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.69 116.5 8.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.015 -1.053 . . . . 0.0 108.398 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 28.5 m120 -133.34 -59.92 0.86 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.365 -0.834 . . . . 0.0 110.97 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.711 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.33 117.11 4.07 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.034 -1.041 . . . . 0.0 110.814 -178.236 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.687 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 86.0 m95 -100.22 120.05 39.3 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.176 -0.952 . . . . 0.0 110.263 179.779 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 66.4 29.84 75.54 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 119.979 -1.105 . . . . 0.0 110.811 178.431 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -77.4 22.61 0.23 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.687 -1.478 . . . . 0.0 109.418 -179.631 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.02 113.36 2.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.831 -1.168 . . . . 0.0 110.196 179.132 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -109.59 12.2 24.43 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.319 -0.863 . . . . 0.0 109.536 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -131.26 23.39 4.83 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.0 mp0 -149.92 152.21 34.65 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -103.67 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.06 -1.025 . . . . 0.0 108.849 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.27 158.24 43.6 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.896 . . . . 0.0 110.021 179.709 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -128.71 132.8 48.02 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.558 HG23 ' O ' ' C' ' 68' ' ' THR . 7.7 t -90.55 112.55 24.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.602 -1.311 . . . . 0.0 109.704 -178.794 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.05 119.65 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 63.9 t -121.97 85.21 45.41 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.594 -0.691 . . . . 0.0 109.382 -178.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -86.17 63.15 5.09 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.86 2.373 . . . . 0.0 111.84 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.403 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 28.5 t90 -70.05 132.93 88.09 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.464 -0.772 . . . . 0.0 109.491 -179.351 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.403 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.8 Cg_exo -38.9 149.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.245 0 C-N-CA 121.725 1.617 . . . . 0.0 110.79 179.218 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 1.1 t30 -130.66 -44.95 1.08 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.182 -0.949 . . . . 0.0 109.874 -179.193 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.23 37.46 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.062 -1.023 . . . . 0.0 108.855 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.4 p -82.77 105.44 13.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.38 134.43 35.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.476 0.655 . . . . 0.0 109.413 -178.425 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.645 HG23 ' O ' ' C' ' 78' ' ' THR . 15.1 t -92.32 112.68 56.41 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -92.84 -48.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.115 0 C-N-CA 121.627 1.551 . . . . 0.0 114.889 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.55 -45.44 2.31 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.146 -0.971 . . . . 0.0 112.985 -177.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.679 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -60.14 -55.63 31.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.308 -1.495 . . . . 0.0 112.685 -176.059 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.679 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.7 t-20 -76.13 -39.88 54.04 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 119.966 -1.709 . . . . 0.0 109.837 -179.206 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -60.52 -45.1 95.08 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.457 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.4 -42.78 96.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 108.339 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 56.3 p -67.84 -40.26 83.74 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.376 -0.828 . . . . 0.0 109.296 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.406 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.8 t-105 -61.19 -40.21 93.06 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.207 -0.933 . . . . 0.0 108.957 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.58 -42.41 92.42 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.944 -1.097 . . . . 0.0 108.644 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.29 -42.24 95.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.082 . . . . 0.0 108.496 178.1 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.6 t90 -60.32 -48.92 79.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.06 -1.025 . . . . 0.0 109.648 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.71 -40.79 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.293 -0.879 . . . . 0.0 109.645 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -67.28 -39.67 86.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.588 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.72 -41.98 96.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.017 -1.073 . . . . 0.0 108.505 178.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.19 -40.62 89.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.367 -0.833 . . . . 0.0 108.993 178.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -61.11 -40.69 94.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.984 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.35 -40.11 81.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.738 -1.226 . . . . 0.0 108.845 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.4 -40.52 95.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.382 -0.824 . . . . 0.0 109.578 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.506 ' OE1' ' NH1' ' C' ' 29' ' ' ARG . 40.0 tt0 -60.15 -49.44 77.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.026 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.74 -40.47 92.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.25 -0.906 . . . . 0.0 109.179 179.597 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.584 HD21 ' NH2' ' B' ' 23' ' ' ARG . 39.8 t-20 -64.74 -44.21 90.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 110.084 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.15 -41.53 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.129 -0.982 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.438 HG23 ' O ' ' C' ' 97' ' ' GLU . 44.9 p -60.98 -40.62 94.14 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.189 -0.945 . . . . 0.0 108.952 179.422 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.1 78.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.921 . . . . 0.0 109.017 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.462 HD11 HH21 ' B' ' 23' ' ' ARG . 89.0 mt -60.24 -44.01 95.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.545 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.09 -41.6 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.851 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.328 -0.857 . . . . 0.0 109.095 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 106' ' ' GLU . . . . . 0.434 ' O ' ' OE1' ' C' ' 110' ' ' GLN . 98.7 mt-10 -64.77 -40.43 95.25 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.271 -0.893 . . . . 0.0 109.12 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.24 95.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.232 -0.918 . . . . 0.0 109.996 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.06 -46.54 89.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.0 109.373 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.55 -49.79 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.341 -0.849 . . . . 0.0 109.772 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 110' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' C' ' 106' ' ' GLU . 2.0 mp0 -66.81 -40.24 87.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.093 -1.004 . . . . 0.0 109.792 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.93 -48.51 81.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.314 -0.866 . . . . 0.0 109.474 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.45 -41.35 96.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.296 -0.878 . . . . 0.0 109.34 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -62.24 -39.89 94.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.873 . . . . 0.0 109.543 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.998 -1.064 . . . . 0.0 109.416 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.43 -40.3 81.24 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.084 -1.01 . . . . 0.0 108.628 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -60.18 -45.6 92.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.491 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.15 -39.29 85.85 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.809 0.814 . . . . 0.0 109.665 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 118' ' ' LEU . . . . . 0.437 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 43.1 tp -59.56 -40.38 87.1 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.044 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.26 -39.61 94.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.978 . . . . 0.0 110.044 179.329 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.26 -33.13 71.88 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.916 -1.115 . . . . 0.0 109.83 -179.272 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 65.9 mt -55.23 -48.36 74.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.729 -1.232 . . . . 0.0 108.887 179.536 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 122' ' ' ASN . . . . . 0.812 ' H ' HH12 ' C' ' 4' ' ' ARG . 6.8 t-20 -129.44 62.88 1.52 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.086 -1.009 . . . . 0.0 109.18 179.119 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.332 -179.997 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.471 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 88.5 mt-30 -69.16 142.66 54.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.363 -179.62 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -91.15 59.1 3.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.26 -0.9 . . . . 0.0 109.384 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 55.6 mtt-85 -65.38 -39.66 92.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.397 -0.815 . . . . 0.0 109.119 179.071 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 7.5 t -59.91 -42.02 92.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.312 -0.867 . . . . 0.0 109.327 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 64.7 tp -62.24 -41.46 98.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 108.736 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.3 -39.37 86.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.332 -0.855 . . . . 0.0 109.679 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.69 89.18 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.048 -1.033 . . . . 0.0 108.832 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.52 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.46 -48.79 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.453 -1.028 . . . . 0.0 109.584 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.05 -47.04 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.152 -0.968 . . . . 0.0 109.406 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.15 -39.58 86.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.185 -0.947 . . . . 0.0 109.31 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -60.04 -41.57 92.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 0.0 109.465 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.002 -1.061 . . . . 0.0 109.366 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.37 -45.43 93.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.105 -0.997 . . . . 0.0 109.032 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.29 -43.73 96.01 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -0.987 . . . . 0.0 109.781 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.84 -42.59 99.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 179.467 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.74 -41.47 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.845 . . . . 0.0 108.919 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 19' ' ' ASP . 50.9 t0 -60.21 -48.78 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.792 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.34 -40.12 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.0 109.596 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -41.81 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 108.571 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.5 -40.15 95.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.586 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.2 mmt180 -61.11 -40.74 94.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.6 -39.99 90.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.557 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.92 -49.65 76.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.122 -0.986 . . . . 0.0 109.651 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.85 -40.7 98.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.083 . . . . 0.0 109.227 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.56 -40.6 97.35 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.354 -0.842 . . . . 0.0 108.875 179.211 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.86 -39.97 91.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.431 -0.793 . . . . 0.0 109.59 179.628 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.24 -40.22 89.47 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.988 -1.07 . . . . 0.0 109.267 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.7 mt -61.59 -40.04 93.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.377 -0.827 . . . . 0.0 109.56 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -63.32 -40.03 96.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.066 -1.021 . . . . 0.0 109.709 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.66 -40.99 86.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.415 -0.803 . . . . 0.0 109.18 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.03 -41.28 91.89 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 110.04 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -49.94 73.05 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -60.02 -49.0 79.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.071 -1.252 . . . . 0.0 109.867 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.18 -39.87 88.02 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -0.87 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.664 HD21 ' NH2' ' A' ' 41' ' ' ARG . 56.1 t-20 -60.03 -39.91 87.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.267 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.38 -39.96 89.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 0.0 109.508 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.11 -39.94 87.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.066 -1.021 . . . . 0.0 109.303 -179.415 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.7 p -60.1 -40.71 90.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.693 -1.255 . . . . 0.0 108.435 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.664 ' NH2' HD21 ' A' ' 37' ' ' ASN . 26.1 mtt-85 -63.7 -40.29 96.42 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.8 -41.08 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.648 -0.658 . . . . 0.0 109.415 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.1 p -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.909 -1.119 . . . . 0.0 109.618 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.02 78.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.809 -1.182 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.03 -40.02 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.878 . . . . 0.0 111.241 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.06 -38.56 88.62 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.373 -1.454 . . . . 0.0 108.865 179.646 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.76 -49.06 79.21 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.362 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.413 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 36.9 m-85 -61.12 -40.04 92.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.006 -1.059 . . . . 0.0 109.727 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -39.89 87.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.92 -39.11 84.34 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.773 -1.205 . . . . 0.0 108.002 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.72 -39.58 85.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.501 -0.749 . . . . 0.0 109.406 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.587 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 2.2 mp0 -59.83 -39.79 86.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.782 -1.199 . . . . 0.0 108.995 179.195 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.87 76.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.873 -1.142 . . . . 0.0 108.016 179.275 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.08 -39.92 87.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 108.914 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -70.2 115.74 9.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.03 -1.044 . . . . 0.0 108.945 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 36.1 m120 -133.61 -65.55 0.67 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.328 -0.858 . . . . 0.0 110.253 -179.633 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.648 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.51 118.57 5.1 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.191 -0.943 . . . . 0.0 109.81 -179.32 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.701 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.3 m95 -99.53 123.19 43.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.254 -0.904 . . . . 0.0 110.693 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 62.38 30.97 77.78 Favored Glycine 0 N--CA 1.492 2.409 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.397 178.058 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.94 22.6 0.14 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.516 -1.579 . . . . 0.0 109.387 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.21 116.86 2.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.117 -0.989 . . . . 0.0 109.302 179.402 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.468 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -116.87 11.78 14.53 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 121.223 -0.923 . . . . 0.0 110.973 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.609 ' NH1' ' NH1' ' B' ' 63' ' ' ARG . 61.8 mtp180 -138.14 24.88 2.75 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.404 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' NE2' ' CD1' ' C' ' 62' ' ' PHE . 39.1 mt-30 -141.55 152.17 43.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.205 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.77 56.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -0.937 . . . . 0.0 108.681 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.42 157.19 42.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.448 -0.782 . . . . 0.0 109.541 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -130.05 135.01 47.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.486 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 68' ' ' THR . 6.7 t -89.91 113.87 25.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.657 -1.277 . . . . 0.0 109.952 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 69' ' ' THR . 10.5 t -114.02 122.8 48.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 74.3 t -130.02 83.96 61.94 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.452 -0.78 . . . . 0.0 109.57 -179.051 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.31 62.46 5.8 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.782 2.321 . . . . 0.0 111.812 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' PRO . 20.9 t90 -69.72 132.03 89.23 Favored Pre-proline 0 N--CA 1.487 1.41 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.4 Cg_exo -39.2 147.13 0.15 Allowed 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.506 1.471 . . . . 0.0 111.213 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.606 ' ND2' ' O ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -132.57 2.51 3.79 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.871 0.843 . . . . 0.0 109.023 -179.259 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.43 8.34 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.326 -0.859 . . . . 0.0 108.835 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -81.54 108.05 14.8 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.95 134.56 35.73 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.409 0.623 . . . . 0.0 109.35 -178.348 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 78' ' ' THR . 9.6 t -90.85 114.19 60.57 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.45 -46.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.844 1.696 . . . . 0.0 113.815 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 82.9 tttt -121.51 -45.47 2.31 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.265 -0.897 . . . . 0.0 113.354 -176.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.0 p90 -61.45 -45.25 95.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.389 -1.444 . . . . 0.0 113.751 -175.641 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.7 t30 -77.6 -49.18 15.12 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.697 -1.877 . . . . 0.0 111.174 -178.639 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.7 p-10 -60.06 -49.73 76.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.954 -1.091 . . . . 0.0 110.313 -178.452 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.92 -45.0 96.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.74 -1.225 . . . . 0.0 109.597 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 81' ' ' TRP . 64.1 p -68.62 -40.08 80.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.243 -0.91 . . . . 0.0 109.717 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.14 -40.1 93.95 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.053 -1.03 . . . . 0.0 109.503 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.13 -40.04 88.36 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.55 -1.344 . . . . 0.0 108.438 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.783 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.1 t90 -60.03 -48.14 82.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.486 -0.758 . . . . 0.0 109.46 178.889 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.86 -39.99 95.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.093 -1.004 . . . . 0.0 109.378 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -62.21 -42.66 99.5 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.584 -0.698 . . . . 0.0 110.21 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.07 -43.03 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.798 -1.189 . . . . 0.0 109.281 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.92 -42.22 91.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.5 179.54 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -61.17 -40.3 93.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.22 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -68.9 -39.99 79.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.667 -1.27 . . . . 0.0 109.608 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.111 -0.993 . . . . 0.0 108.82 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 101' ' ' THR . 85.7 tt0 -60.51 -48.24 82.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.56 -0.712 . . . . 0.0 109.816 179.688 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.32 -44.28 95.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.407 -179.583 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.596 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.52 -45.0 95.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.14 -42.89 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 109.555 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 97' ' ' GLU . 44.8 p -60.31 -44.39 95.49 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.046 179.801 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.98 -48.72 80.51 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -44.51 94.71 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.6 -42.82 97.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.99 -49.21 78.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.78 -40.94 96.94 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.319 -0.863 . . . . 0.0 109.708 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.2 93.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.224 -0.922 . . . . 0.0 109.617 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.12 -44.09 97.39 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.347 179.511 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.98 -50.06 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.209 -0.932 . . . . 0.0 109.849 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -68.56 -40.25 80.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.733 -1.229 . . . . 0.0 110.046 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.08 -45.59 92.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 109.681 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.42 -40.19 77.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.186 -0.946 . . . . 0.0 109.551 -179.718 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.0 -40.15 90.91 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -0.904 . . . . 0.0 109.942 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -43.91 97.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.127 -0.983 . . . . 0.0 109.981 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.23 -41.11 86.24 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.164 -0.96 . . . . 0.0 108.909 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.547 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.5 t80 -60.33 -48.41 81.88 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.556 -0.715 . . . . 0.0 109.204 179.425 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.89 -40.1 94.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.491 -0.756 . . . . 0.0 109.449 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.93 -42.83 94.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.319 -0.863 . . . . 0.0 109.632 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.64 -41.48 97.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.979 -1.076 . . . . 0.0 109.971 -179.801 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.547 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 40.8 mmtm -62.65 -39.98 95.58 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.962 -1.086 . . . . 0.0 109.263 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.42 HD13 HH12 ' A' ' 4' ' ' ARG . 99.3 mt -59.95 -47.15 86.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -121.58 60.12 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.016 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.111 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.484 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 88.4 mt-30 -69.18 142.7 54.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.106 -0.996 . . . . 0.0 109.227 -179.721 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -91.15 58.95 3.85 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.415 -0.803 . . . . 0.0 109.494 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.484 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 55.6 mtt-85 -65.42 -39.33 91.99 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.395 -0.816 . . . . 0.0 109.044 179.072 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.506 HG23 ' N ' ' B' ' 6' ' ' LEU . 7.2 t -59.91 -42.08 93.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.295 -0.878 . . . . 0.0 109.281 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.506 ' N ' HG23 ' B' ' 5' ' ' THR . 64.6 tp -62.02 -41.66 98.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 108.795 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.07 -39.64 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.81 88.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.061 -1.024 . . . . 0.0 108.923 -179.215 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.98 80.01 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.15 -49.03 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.42 -1.047 . . . . 0.0 109.407 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.04 -46.96 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.031 -1.043 . . . . 0.0 109.464 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.205 -0.934 . . . . 0.0 109.132 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -59.91 -42.15 93.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.459 -0.775 . . . . 0.0 109.418 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -60.33 -42.14 95.02 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.103 -0.998 . . . . 0.0 109.427 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.18 -44.62 94.92 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.905 . . . . 0.0 109.215 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -61.2 -42.92 99.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.4 -42.58 99.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.047 -1.033 . . . . 0.0 109.228 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.46 -41.84 94.96 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 108.895 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.96 -48.68 80.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.42 -0.8 . . . . 0.0 109.717 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.38 -40.36 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 109.79 -179.505 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -41.61 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 0.0 108.498 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.51 -40.25 96.14 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.578 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.2 mmt180 -61.15 -40.99 95.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -40.09 89.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.513 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.92 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 0.0 109.456 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -41.93 98.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.87 -1.144 . . . . 0.0 109.247 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.7 -40.73 96.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.381 -0.824 . . . . 0.0 108.931 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.57 -39.95 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.319 -0.863 . . . . 0.0 109.663 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.67 -40.03 90.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.968 -1.082 . . . . 0.0 109.334 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.443 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.8 mt -61.8 -40.28 94.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 0.0 109.655 -179.85 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.063 -1.023 . . . . 0.0 109.788 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.62 -40.7 85.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.293 -0.88 . . . . 0.0 109.22 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -60.3 -41.3 93.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 0.0 109.935 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -49.62 76.54 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.14 -49.15 78.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.036 -1.273 . . . . 0.0 109.758 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -59.97 -39.95 87.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.92 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.646 HD21 ' NH2' ' B' ' 41' ' ' ARG . 57.6 t-20 -59.92 -40.17 87.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 109.307 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.505 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.0 -39.9 87.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 -179.222 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -60.29 -40.44 90.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.219 . . . . 0.0 108.368 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.646 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.7 mtt-85 -64.25 -40.05 95.21 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.8 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.55 -41.52 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.568 -0.708 . . . . 0.0 109.391 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.6 p -60.12 -40.04 88.33 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.723 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.89 77.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.784 -1.198 . . . . 0.0 109.219 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.68 -40.34 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.454 -0.779 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.84 -38.61 89.34 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.419 -1.426 . . . . 0.0 108.905 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.12 -48.76 80.38 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.248 -0.907 . . . . 0.0 109.239 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.415 ' O ' ' OE1' ' B' ' 52' ' ' GLN . 37.3 m-85 -61.18 -40.12 92.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 109.674 179.273 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.85 -40.04 87.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -59.91 -39.33 85.06 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.802 -1.186 . . . . 0.0 107.992 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.26 -39.77 83.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.584 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 2.3 mp0 -59.81 -39.62 85.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.723 -1.236 . . . . 0.0 108.935 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.69 76.07 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.883 -1.135 . . . . 0.0 108.147 179.147 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.16 -39.58 86.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 108.785 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.56 115.98 10.36 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 108.932 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 36.4 m120 -133.74 -65.73 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -0.755 . . . . 0.0 110.336 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.701 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.03 118.56 5.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.109 -0.994 . . . . 0.0 109.791 -179.417 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.678 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.7 m95 -99.66 122.87 43.31 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.271 -0.893 . . . . 0.0 110.638 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 62.98 30.4 77.3 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.382 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.98 22.76 0.14 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.591 -1.535 . . . . 0.0 109.35 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.17 116.7 2.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.089 -1.007 . . . . 0.0 109.361 179.293 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.433 ' CD1' ' NE2' ' C' ' 64' ' ' GLN . 34.5 m-85 -116.68 12.0 14.81 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.317 -0.864 . . . . 0.0 110.969 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.609 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 62.1 mtp180 -138.36 24.91 2.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 177.392 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.468 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 37.9 mt-30 -141.37 152.31 44.25 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -103.58 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.124 -0.985 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.2 42.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.446 -0.784 . . . . 0.0 109.705 179.57 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.98 135.16 47.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.534 HG23 ' O ' ' B' ' 68' ' ' THR . 6.5 t -90.05 113.52 25.24 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.683 -1.261 . . . . 0.0 109.949 -178.836 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.553 HG23 ' O ' ' B' ' 69' ' ' THR . 10.3 t -113.65 122.73 48.05 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.493 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 82.3 t -130.38 84.12 60.52 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.467 -0.771 . . . . 0.0 109.64 -179.144 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -85.64 62.92 5.57 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.794 2.329 . . . . 0.0 111.787 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -70.05 132.29 88.46 Favored Pre-proline 0 N--CA 1.49 1.526 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -39.34 147.0 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.328 1.352 . . . . 0.0 111.249 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.622 ' O ' ' ND2' ' B' ' 74' ' ' ASN . 0.3 OUTLIER -132.55 2.61 3.81 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.937 0.875 . . . . 0.0 108.948 -179.193 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.42 8.34 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.299 -0.876 . . . . 0.0 108.831 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.73 107.92 14.85 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.22 134.38 35.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.359 0.6 . . . . 0.0 109.386 -178.168 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' B' ' 78' ' ' THR . 9.0 t -90.98 114.12 60.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 0.0 109.185 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -93.13 -46.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.885 1.723 . . . . 0.0 113.884 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 80' ' ' LYS . . . . . 0.437 ' O ' ' OD1' ' B' ' 83' ' ' ASN . 82.8 tttt -121.19 -45.81 2.33 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.156 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.86 -45.61 93.87 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.427 -1.421 . . . . 0.0 113.759 -175.734 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 58.9 t30 -77.33 -49.25 15.36 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 119.808 -1.808 . . . . 0.0 111.263 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 80' ' ' LYS . 18.8 p-10 -59.9 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.86 -1.15 . . . . 0.0 110.346 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.57 -45.09 95.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.729 -1.232 . . . . 0.0 109.818 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.496 HG23 ' O ' ' B' ' 81' ' ' TRP . 64.7 p -68.77 -39.96 79.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.33 -39.92 93.04 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.722 -1.236 . . . . 0.0 108.553 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.42 -40.24 95.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.755 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 63.9 t90 -60.35 -48.56 81.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.508 -0.745 . . . . 0.0 109.308 179.2 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.37 -40.3 96.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.081 -1.012 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.93 -42.68 99.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 0.0 110.183 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.17 -42.43 94.96 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 109.269 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.31 -42.14 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.434 -0.791 . . . . 0.0 109.5 179.401 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.58 -40.15 93.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.322 -0.861 . . . . 0.0 111.174 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -68.8 -40.03 79.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.723 -1.236 . . . . 0.0 109.474 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.18 -40.46 86.58 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.007 -1.058 . . . . 0.0 108.727 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 101' ' ' THR . 85.9 tt0 -60.06 -48.61 81.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.481 -0.762 . . . . 0.0 109.731 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -44.55 94.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.184 -0.947 . . . . 0.0 109.658 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.38 -44.94 95.16 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.172 -0.955 . . . . 0.0 109.636 -179.73 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.13 -42.79 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.661 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 97' ' ' GLU . 43.9 p -60.33 -44.36 95.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.053 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.71 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.393 -0.817 . . . . 0.0 109.399 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.42 -44.58 95.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.749 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.54 -42.65 96.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.048 -1.033 . . . . 0.0 109.594 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.42 -48.79 80.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 -179.767 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.98 -41.01 97.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.5 -0.75 . . . . 0.0 109.904 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.878 . . . . 0.0 109.656 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.13 -43.91 97.79 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.005 -1.06 . . . . 0.0 109.39 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.02 -50.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.354 -0.841 . . . . 0.0 109.672 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.03 -39.99 78.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 110.045 -179.591 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -60.0 -45.47 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 109.714 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.54 -40.21 77.0 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.316 -0.865 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.0 -40.1 90.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 109.937 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.49 -43.97 97.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.064 . . . . 0.0 109.882 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.01 -41.14 87.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.168 -0.957 . . . . 0.0 108.967 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 116' ' ' TYR . . . . . 0.53 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.4 t80 -60.25 -48.64 80.88 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.528 -0.732 . . . . 0.0 109.272 179.333 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.59 -40.06 93.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.4 -0.813 . . . . 0.0 109.473 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 0.0 109.779 -179.579 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -62.01 -40.92 97.31 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.964 -1.085 . . . . 0.0 109.957 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 120' ' ' LYS . . . . . 0.53 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 41.0 mmtm -63.16 -39.97 96.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 109.075 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.405 HD13 HH12 ' B' ' 4' ' ' ARG . 97.3 mt -59.97 -47.44 85.79 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -121.68 60.37 0.96 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.086 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.487 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.101 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.485 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 88.7 mt-30 -69.01 142.65 54.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.1 -1.0 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -90.98 58.8 3.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.2 -0.938 . . . . 0.0 109.517 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.485 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 55.2 mtt-85 -65.59 -39.7 91.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.891 179.134 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.516 HG23 ' N ' ' C' ' 6' ' ' LEU . 7.6 t -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.928 . . . . 0.0 109.278 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.516 ' N ' HG23 ' C' ' 5' ' ' THR . 64.9 tp -61.63 -41.65 97.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 108.815 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.08 -39.59 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 109.809 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.7 88.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.158 -0.964 . . . . 0.0 108.855 -179.425 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.68 -47.07 80.14 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.03 -49.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.408 -1.054 . . . . 0.0 109.463 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.99 -1.069 . . . . 0.0 109.288 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.16 -39.8 87.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.157 -0.965 . . . . 0.0 109.297 178.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.94 -41.19 91.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.401 -179.026 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -61.44 -42.17 98.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.11 -0.994 . . . . 0.0 109.38 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.24 -44.02 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.228 -0.92 . . . . 0.0 109.095 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.94 -41.97 98.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.926 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -41.75 98.8 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.035 -1.041 . . . . 0.0 109.287 179.261 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.13 -41.45 96.75 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.28 -0.887 . . . . 0.0 108.883 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.07 -49.24 78.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 109.692 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.14 -40.15 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.159 -0.963 . . . . 0.0 109.685 -179.382 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -42.03 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.075 -1.015 . . . . 0.0 108.363 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.15 -40.24 95.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.484 -0.76 . . . . 0.0 109.221 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.596 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.92 -41.04 95.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.523 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.23 -40.1 89.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.187 -0.946 . . . . 0.0 109.64 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.05 -49.64 76.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 109.419 -179.629 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.75 -41.01 98.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.46 -40.27 96.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.939 179.312 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.79 -40.21 91.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.336 -0.852 . . . . 0.0 109.506 179.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.55 -40.02 90.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.0 mt -61.55 -39.98 93.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 0.0 109.615 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.9 p -63.46 -40.01 95.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.996 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.31 -41.01 85.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -60.34 -40.92 92.38 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.413 -0.804 . . . . 0.0 109.97 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -49.79 74.7 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.09 -48.71 80.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.947 -1.325 . . . . 0.0 109.919 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.21 -40.1 88.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.863 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.665 HD21 ' NH2' ' C' ' 41' ' ' ARG . 56.0 t-20 -59.88 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.308 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.3 -40.01 89.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.067 -1.021 . . . . 0.0 109.5 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.77 -40.34 87.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.041 -1.037 . . . . 0.0 109.13 -179.228 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.6 p -60.08 -40.37 89.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.735 -1.228 . . . . 0.0 108.458 179.299 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.665 ' NH2' HD21 ' C' ' 37' ' ' ASN . 26.5 mtt-85 -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.696 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.55 -41.24 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.647 -0.658 . . . . 0.0 109.41 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 60.5 p -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.946 -1.096 . . . . 0.0 109.56 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.902 -1.124 . . . . 0.0 109.203 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.88 -40.23 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 111.085 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.04 -38.26 87.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.358 -1.464 . . . . 0.0 108.889 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -59.97 -49.06 79.17 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.429 ' O ' ' OE1' ' C' ' 52' ' ' GLN . 37.5 m-85 -61.18 -39.98 92.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 109.653 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.97 -39.93 87.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.143 -0.973 . . . . 0.0 109.58 -179.114 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.794 -1.191 . . . . 0.0 108.039 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -39.69 85.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.0 109.369 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.577 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 2.3 mp0 -59.74 -39.69 85.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.685 -1.259 . . . . 0.0 108.946 179.591 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.87 76.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -59.92 -39.74 86.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.937 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 74.5 mt -70.32 115.98 10.13 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.02 -1.05 . . . . 0.0 108.908 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 36.2 m120 -133.74 -66.01 0.65 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.456 -0.778 . . . . 0.0 110.25 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.678 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.08 118.51 5.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.178 -0.951 . . . . 0.0 109.851 -179.45 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.648 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.7 m95 -99.49 123.05 43.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.774 -179.547 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 62.49 30.65 77.08 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.485 178.148 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 22.51 0.14 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.53 -1.571 . . . . 0.0 109.127 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.93 117.26 2.26 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.197 -0.94 . . . . 0.0 109.441 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.461 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -117.48 11.69 13.93 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 121.27 -0.894 . . . . 0.0 111.055 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.584 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 62.4 mtp180 -138.15 25.09 2.74 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.393 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.433 ' NE2' ' CD1' ' B' ' 62' ' ' PHE . 38.6 mt-30 -141.57 152.32 43.96 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.209 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -104.05 56.62 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.147 -0.971 . . . . 0.0 108.671 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.23 42.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.676 . . . . 0.0 109.603 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -130.06 134.86 47.67 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.537 HG23 ' O ' ' C' ' 68' ' ' THR . 6.6 t -89.93 113.38 25.01 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.775 -1.203 . . . . 0.0 110.056 -178.651 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.544 HG23 ' O ' ' C' ' 69' ' ' THR . 9.7 t -113.14 122.95 49.07 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.481 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 67.8 t -130.22 84.03 61.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.457 -0.777 . . . . 0.0 109.651 -179.202 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -85.95 62.96 5.29 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.745 2.296 . . . . 0.0 111.743 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' C' ' 73' ' ' PRO . 21.2 t90 -69.95 132.33 88.63 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.854 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' C' ' 72' ' ' TRP . 93.5 Cg_exo -39.63 147.1 0.19 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.355 1.37 . . . . 0.0 111.285 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.625 ' ND2' ' O ' ' C' ' 74' ' ' ASN . 0.3 OUTLIER -132.3 2.13 3.86 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.971 0.891 . . . . 0.0 109.039 -179.241 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.72 123.53 8.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.344 -0.847 . . . . 0.0 108.915 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -81.77 107.62 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.99 134.56 35.71 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.165 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.592 HG23 ' O ' ' C' ' 78' ' ' THR . 9.4 t -90.71 114.03 59.92 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.388 -0.82 . . . . 0.0 109.225 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -93.33 -46.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.036 0 C-N-CA 121.816 1.677 . . . . 0.0 113.663 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 80' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' C' ' 83' ' ' ASN . 82.7 tttt -121.55 -45.33 2.31 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.035 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -61.47 -45.34 94.67 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.432 -1.417 . . . . 0.0 113.774 -175.585 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.629 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.6 t30 -77.54 -48.85 15.97 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 119.854 -1.778 . . . . 0.0 111.366 -178.579 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 83' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' C' ' 80' ' ' LYS . 18.0 p-10 -60.08 -50.03 75.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.071 . . . . 0.0 110.122 -178.576 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.26 -46.05 91.15 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.772 -1.205 . . . . 0.0 109.838 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 81' ' ' TRP . 64.5 p -67.9 -39.98 83.54 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 109.753 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -65.56 -39.81 92.1 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.492 -179.578 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.05 -40.11 88.28 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.662 -1.274 . . . . 0.0 108.445 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.93 -40.37 97.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.443 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.4 t90 -59.96 -47.72 84.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.495 -0.753 . . . . 0.0 109.465 178.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.134 -0.978 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -62.13 -42.64 99.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.553 -0.717 . . . . 0.0 110.158 -179.089 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.12 -43.01 95.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 0.0 109.272 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.77 -42.42 92.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.382 -0.823 . . . . 0.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.06 -40.39 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.0 111.153 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.808 -1.182 . . . . 0.0 109.592 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.34 -40.2 85.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.147 -0.971 . . . . 0.0 108.85 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.4 ' O ' HG23 ' C' ' 101' ' ' THR . 85.4 tt0 -60.21 -48.67 80.75 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.431 -0.793 . . . . 0.0 109.616 179.547 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.09 -44.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 109.629 -179.461 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.7 t-20 -60.05 -44.79 94.44 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.182 -0.949 . . . . 0.0 109.817 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.45 -42.84 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 109.521 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.4 HG23 ' O ' ' C' ' 97' ' ' GLU . 44.5 p -60.18 -43.93 95.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.154 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.76 79.55 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.369 -0.832 . . . . 0.0 109.42 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.2 -44.65 94.95 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.369 -0.832 . . . . 0.0 109.827 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.48 -42.85 97.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.965 . . . . 0.0 109.565 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.07 -49.0 79.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.97 -40.83 96.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.857 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.54 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 0.0 109.597 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.985 -1.072 . . . . 0.0 109.393 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.36 -50.05 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.21 -0.931 . . . . 0.0 109.688 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.87 -40.1 79.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.912 -1.118 . . . . 0.0 110.124 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.08 -45.52 92.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 109.659 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.62 -40.03 76.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.02 -40.1 90.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.133 -0.979 . . . . 0.0 109.897 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.39 -43.69 98.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.992 -1.067 . . . . 0.0 109.992 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.49 -41.08 85.13 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.951 . . . . 0.0 108.9 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 116' ' ' TYR . . . . . 0.554 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.521 -0.737 . . . . 0.0 109.246 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.66 -39.88 92.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.466 -0.771 . . . . 0.0 109.607 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.14 -42.59 95.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.426 -0.796 . . . . 0.0 109.534 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -61.68 -42.62 99.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.043 -1.035 . . . . 0.0 109.793 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 120' ' ' LYS . . . . . 0.554 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 41.2 mmtm -61.33 -40.02 92.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.415 HD13 HH12 ' C' ' 4' ' ' ARG . 99.8 mt -59.92 -47.41 85.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.728 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -121.62 60.02 0.96 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.029 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.135 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -72.78 145.28 47.16 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.192 -0.943 . . . . 0.0 109.097 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.37 61.61 6.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -61.97 -39.97 93.99 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 6' ' ' LEU . 15.2 t -60.35 -42.5 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.282 -0.887 . . . . 0.0 108.88 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 5' ' ' THR . 58.9 tp -60.05 -43.51 95.32 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.42 -39.9 95.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.614 -0.679 . . . . 0.0 109.203 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.04 91.5 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.862 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.88 -44.71 67.25 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.06 -49.95 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.091 . . . . 0.0 109.34 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -59.98 -47.51 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.11 -0.994 . . . . 0.0 109.198 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 109.14 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.01 -43.57 95.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.451 -0.781 . . . . 0.0 109.224 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.4 -41.4 93.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.24 -42.75 95.95 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.257 -0.902 . . . . 0.0 108.967 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -65.1 -40.87 95.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.536 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.17 -44.08 97.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.983 . . . . 0.0 109.035 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.69 -42.58 97.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.329 -0.857 . . . . 0.0 109.118 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.1 t0 -60.05 -47.22 86.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.381 -0.824 . . . . 0.0 109.96 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.0 -40.01 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.033 . . . . 0.0 109.445 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.96 -40.75 83.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.9 -40.56 95.87 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.68 -0.637 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.9 mpt_? -59.98 -42.83 95.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.143 -0.973 . . . . 0.0 108.885 179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.192 -0.943 . . . . 0.0 109.109 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -59.96 -45.57 92.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.372 -0.83 . . . . 0.0 109.666 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.64 -41.41 83.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.552 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.126 -0.983 . . . . 0.0 109.339 179.48 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.94 -40.52 89.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.726 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.0 -39.94 91.63 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.078 -1.014 . . . . 0.0 109.361 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.1 mt -64.5 -40.12 95.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -61.98 -39.95 93.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.013 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.99 -40.0 84.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.299 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -60.07 -47.94 83.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.35 -0.843 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.9 88.74 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.346 -179.081 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -59.96 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.964 -1.315 . . . . 0.0 109.353 -179.266 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -61.35 -39.94 92.44 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.316 -0.865 . . . . 0.0 109.035 179.043 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -60.02 -40.01 87.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.452 -0.78 . . . . 0.0 109.505 -179.323 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.95 -40.03 87.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 108.486 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 109.135 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.5 p -60.02 -41.54 92.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.803 -1.186 . . . . 0.0 108.731 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.601 HH22 ' CG ' ' B' ' 82' ' ' ASN . 49.9 mtt-85 -61.91 -40.1 94.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.026 -1.047 . . . . 0.0 108.378 178.667 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.06 -42.6 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.618 -0.676 . . . . 0.0 110.035 -179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -59.96 -40.08 87.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.886 -1.134 . . . . 0.0 110.115 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.48 98.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.873 -1.142 . . . . 0.0 108.082 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.52 -39.77 82.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.845 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.05 -40.25 88.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.087 -1.008 . . . . 0.0 109.043 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.75 -42.33 99.62 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 109.708 179.631 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.0 m-85 -69.43 -38.07 77.71 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.21 -0.931 . . . . 0.0 109.616 179.747 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' HE22 ' C' ' 52' ' ' GLN . 49.5 mt -59.97 -39.96 87.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.922 -1.111 . . . . 0.0 109.239 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.76 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.926 -1.109 . . . . 0.0 108.708 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.99 -39.96 87.52 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.063 -1.023 . . . . 0.0 109.054 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.433 HE22 ' CD2' ' B' ' 49' ' ' LEU . 37.3 mt-30 -60.7 -39.95 90.42 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.012 -1.055 . . . . 0.0 109.331 179.143 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.471 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . -56.23 -32.6 64.6 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.953 -1.092 . . . . 0.0 108.262 179.214 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.27 -38.41 80.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.54 111.12 4.54 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.586 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.575 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 67.8 m-80 -134.9 -69.28 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.314 -0.866 . . . . 0.0 109.62 -179.748 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.39 88.31 1.5 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 109.185 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' A' ' 60' ' ' ALA . 64.2 m95 -104.42 148.96 25.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.481 -0.762 . . . . 0.0 110.02 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.93 9.24 0.51 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.49 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -80.84 25.36 0.45 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.25 -1.147 . . . . 0.0 109.131 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.95 111.19 2.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.903 -1.123 . . . . 0.0 110.546 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -105.4 12.52 31.47 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 178.492 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -115.87 21.55 13.74 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 177.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -151.35 152.11 32.7 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.326 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -110.14 59.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.117 -0.99 . . . . 0.0 109.003 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.86 158.18 41.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.42 -0.8 . . . . 0.0 109.638 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -123.02 132.46 54.14 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.47 121.13 41.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.29 -0.881 . . . . 0.0 111.536 -177.671 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 69' ' ' THR . 10.5 t -109.8 119.33 39.04 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.575 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 85.3 t -123.24 90.33 50.49 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.445 -0.785 . . . . 0.0 109.577 -179.276 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.4 67.68 7.35 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 C-N-CA 122.584 2.189 . . . . 0.0 111.996 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' PRO . 21.8 t90 -69.0 131.15 90.99 Favored Pre-proline 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.79 . . . . 0.0 109.013 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' TRP . 61.4 Cg_exo -38.5 149.22 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.424 1.416 . . . . 0.0 111.425 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.4 OUTLIER -127.53 -60.09 1.19 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.318 -0.864 . . . . 0.0 109.254 -179.178 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 125.82 35.32 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -82.1 108.91 15.94 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.8 mt -82.15 137.1 35.04 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.321 0.581 . . . . 0.0 109.866 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -90.85 112.84 55.62 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.429 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -94.7 -47.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.997 0 C-N-CA 121.624 1.549 . . . . 0.0 114.609 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -119.93 -46.29 2.44 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.215 -0.928 . . . . 0.0 113.025 -176.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.7 p90 -59.98 -56.36 22.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.335 -1.478 . . . . 0.0 112.536 -176.286 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.2 OUTLIER -76.17 -38.02 57.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.142 -1.598 . . . . 0.0 109.966 -179.156 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.9 -44.24 94.36 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 -179.187 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.03 -45.87 91.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.983 . . . . 0.0 108.433 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -67.39 -40.08 85.65 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.462 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -62.32 -40.06 95.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.008 . . . . 0.0 109.579 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.29 91.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.639 -1.288 . . . . 0.0 108.312 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.07 -39.99 91.99 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.6 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.434 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 54.8 t90 -60.0 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.452 -0.78 . . . . 0.0 109.144 179.469 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.59 -40.79 97.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.128 -0.982 . . . . 0.0 109.375 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -63.19 -41.91 99.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 110.503 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.06 -43.67 98.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.75 -1.219 . . . . 0.0 109.601 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.14 -40.95 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.044 -1.035 . . . . 0.0 109.545 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.74 -40.07 91.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.135 -0.978 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.71 -40.01 80.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.622 -1.299 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.939 . . . . 0.0 109.64 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.27 -40.33 95.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.047 -1.033 . . . . 0.0 110.274 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.15 -39.98 78.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.03 -1.043 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.84 -40.99 96.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.377 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.4 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.918 . . . . 0.0 110.04 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.48 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.111 -0.993 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.34 -40.42 93.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.232 -0.917 . . . . 0.0 109.565 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.56 -40.65 97.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 0.0 109.163 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.98 -48.56 81.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.92 . . . . 0.0 109.242 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.42 -41.43 97.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 109.208 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.09 83.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.0 109.541 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.06 -45.06 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.689 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.35 -45.14 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.984 . . . . 0.0 109.219 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.67 -39.96 76.69 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.404 -0.81 . . . . 0.0 109.991 -179.434 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.06 -50.0 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.062 -1.024 . . . . 0.0 109.778 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.54 -42.53 96.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.22 -42.12 98.05 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.254 -0.904 . . . . 0.0 109.746 -179.486 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -63.48 -44.76 93.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.396 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.5 ttp -67.51 -40.0 85.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.449 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.95 -43.8 94.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.513 -0.742 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.61 -39.92 88.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.056 -1.027 . . . . 0.0 109.042 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.1 -42.82 95.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.519 -0.738 . . . . 0.0 109.486 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' SER . 93.5 mt-30 -60.88 -42.02 97.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 110.176 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.69 -37.28 81.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.2 -0.938 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.86 -47.54 85.33 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -130.33 62.51 1.58 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.42 -0.8 . . . . 0.0 109.508 179.203 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.083 -1.011 . . . . 0.0 109.162 179.574 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.323 0.582 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -72.99 145.12 46.92 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.25 61.72 6.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.03 -40.03 94.32 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.493 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.4 t -60.35 -42.45 95.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.295 -0.878 . . . . 0.0 108.81 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.493 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -60.01 -43.81 94.99 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.471 -0.768 . . . . 0.0 109.311 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.34 91.98 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -44.82 70.06 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.94 -50.01 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.401 -1.058 . . . . 0.0 109.324 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -47.14 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.007 -1.058 . . . . 0.0 109.217 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.83 -40.01 96.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.959 . . . . 0.0 109.171 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -43.45 95.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.409 -0.807 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.43 -41.46 94.05 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.952 -1.092 . . . . 0.0 109.414 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.198 -0.938 . . . . 0.0 109.109 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -65.45 -40.42 93.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 17' ' ' LEU . 88.7 mt -61.4 -44.18 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 109.148 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.61 -42.64 97.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.473 -0.767 . . . . 0.0 109.131 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.494 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 53.4 t0 -60.02 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.426 -0.797 . . . . 0.0 109.863 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.97 -39.99 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.083 -1.01 . . . . 0.0 109.433 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 108.733 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.8 -40.2 94.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.6 -0.688 . . . . 0.0 109.548 179.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.494 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.9 mpt_? -60.42 -42.65 96.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.06 -1.025 . . . . 0.0 108.984 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.21 -40.01 88.6 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.014 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -60.02 -45.67 92.01 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.54 -41.12 84.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.95 -40.89 99.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.298 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.02 -40.56 89.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.439 -0.788 . . . . 0.0 109.565 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.95 -40.08 91.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.029 -1.044 . . . . 0.0 109.265 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.428 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.7 mt -64.33 -40.09 95.2 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.206 -0.934 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -61.89 -40.0 93.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.92 -40.13 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.426 -0.796 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -60.0 -47.9 83.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.459 -179.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.82 89.12 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.403 -179.2 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.976 -1.308 . . . . 0.0 109.381 -179.225 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.4 -40.04 92.93 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.271 -0.893 . . . . 0.0 108.992 179.005 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.442 -0.786 . . . . 0.0 109.503 -179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.03 -39.91 87.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.913 -1.117 . . . . 0.0 108.445 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.218 -0.926 . . . . 0.0 109.112 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 70.6 p -60.1 -41.01 91.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.824 -1.173 . . . . 0.0 108.709 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.567 HH22 ' CG ' ' C' ' 82' ' ' ASN . 48.7 mtt-85 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.689 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.83 -42.79 93.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.654 -0.654 . . . . 0.0 109.936 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.888 -1.132 . . . . 0.0 110.197 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.137 . . . . 0.0 108.117 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.28 -39.81 81.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 CA-C-O 121.183 0.516 . . . . 0.0 109.816 179.158 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.02 -40.88 90.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.088 -1.008 . . . . 0.0 108.87 -178.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.09 -42.6 99.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.393 -0.817 . . . . 0.0 109.621 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.7 m-85 -69.22 -38.08 78.35 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.0 109.761 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.433 ' CD2' HE22 ' A' ' 52' ' ' GLN . 50.7 mt -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.914 -1.116 . . . . 0.0 109.106 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.51 -39.97 95.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.805 -1.185 . . . . 0.0 108.658 178.591 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.09 -40.11 88.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.057 -1.027 . . . . 0.0 108.996 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.424 HE22 ' CD2' ' C' ' 49' ' ' LEU . 37.7 mt-30 -60.38 -39.94 89.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 109.467 179.109 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.489 ' O ' ' ND2' ' B' ' 56' ' ' ASN . . . -56.22 -32.52 64.5 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.831 -1.168 . . . . 0.0 108.293 179.243 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.36 -38.3 80.08 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 mt -68.74 110.65 4.41 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 67.8 m-80 -134.47 -68.95 0.53 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 0.0 109.915 -179.829 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.5 88.09 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.187 -0.945 . . . . 0.0 109.027 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.474 ' C ' ' H ' ' B' ' 60' ' ' ALA . 64.2 m95 -104.39 149.03 25.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.442 -0.786 . . . . 0.0 110.058 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.9 8.83 0.45 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -80.26 25.46 0.39 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.121 -1.223 . . . . 0.0 109.209 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.03 111.29 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.906 -1.121 . . . . 0.0 110.563 -179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -105.47 12.7 31.14 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.393 -0.817 . . . . 0.0 109.903 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -115.94 21.39 13.83 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 177.455 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -151.18 151.93 32.6 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -109.93 59.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.055 -1.028 . . . . 0.0 109.095 179.482 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.93 158.55 42.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.484 -0.76 . . . . 0.0 109.593 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -123.48 132.56 53.96 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.002 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.65 121.37 41.52 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.222 -0.924 . . . . 0.0 111.515 -177.608 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.591 HG23 ' O ' ' B' ' 69' ' ' THR . 10.6 t -109.9 119.31 38.93 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.681 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.568 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 84.3 t -123.32 90.21 50.59 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.304 -0.872 . . . . 0.0 109.568 -179.26 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.22 67.47 7.55 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.625 2.216 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 21.8 t90 -68.83 131.27 91.17 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.486 -0.759 . . . . 0.0 108.993 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 61.5 Cg_exo -38.59 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.244 0 C-N-CA 121.515 1.477 . . . . 0.0 111.297 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -127.45 -59.98 1.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.296 -0.877 . . . . 0.0 109.272 -179.252 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.53 125.54 35.24 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.93 108.95 15.85 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.046 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.07 136.98 35.14 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.996 -178.495 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 78' ' ' THR . 15.2 t -90.58 112.71 54.62 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.315 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -94.57 -46.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 121.671 1.58 . . . . 0.0 114.728 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -120.17 -46.34 2.42 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.184 -0.947 . . . . 0.0 113.032 -176.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.8 p90 -60.01 -56.49 21.04 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.408 -1.432 . . . . 0.0 112.526 -176.298 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.2 OUTLIER -75.91 -38.25 57.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.104 -1.622 . . . . 0.0 110.0 -179.227 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -60.02 -43.95 94.94 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.193 -0.942 . . . . 0.0 109.063 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -45.97 90.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 108.45 178.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 75.1 p -67.26 -40.03 86.18 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.378 -0.826 . . . . 0.0 109.059 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.416 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.8 t-105 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.96 -40.98 90.92 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.563 -1.336 . . . . 0.0 108.445 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.34 -40.01 92.68 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.524 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.416 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.9 t90 -59.99 -48.39 81.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.62 -40.37 96.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.173 -0.955 . . . . 0.0 109.595 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -63.64 -41.9 98.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 110.312 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.69 -43.77 97.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.879 -1.138 . . . . 0.0 109.857 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -40.71 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.8 -40.0 91.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.077 -1.014 . . . . 0.0 111.148 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -68.98 -40.04 79.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.617 -1.302 . . . . 0.0 109.655 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.72 -40.18 94.89 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.162 -0.961 . . . . 0.0 109.646 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.97 -40.99 97.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.167 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -68.68 -39.95 80.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.997 -1.064 . . . . 0.0 109.493 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.98 -40.6 95.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.275 -0.891 . . . . 0.0 109.332 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -62.76 -46.53 96.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.203 -0.936 . . . . 0.0 109.245 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.9 p -59.99 -42.13 93.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.126 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.39 -40.32 93.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.207 -0.933 . . . . 0.0 109.666 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -40.85 97.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.086 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.0 -48.4 81.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.106 -0.996 . . . . 0.0 109.243 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.1 -41.86 97.45 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.013 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.17 83.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.338 -0.851 . . . . 0.0 109.623 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.1 -44.99 94.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.963 . . . . 0.0 109.619 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.07 -45.4 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.008 -1.058 . . . . 0.0 109.297 179.65 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -69.6 -40.0 76.91 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.358 -0.839 . . . . 0.0 110.105 -179.365 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -50.05 75.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.056 -1.028 . . . . 0.0 109.728 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -42.5 95.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 109.474 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -61.54 -41.68 97.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.281 -0.887 . . . . 0.0 109.662 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -63.84 -44.84 91.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.096 -1.002 . . . . 0.0 109.246 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.39 -40.0 85.63 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 108.816 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.99 -43.85 94.91 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 109.565 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.4 -40.04 89.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.987 -1.071 . . . . 0.0 109.1 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.12 -42.73 95.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.482 -0.762 . . . . 0.0 109.592 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 123' ' ' SER . 93.5 mt-30 -60.95 -42.09 97.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.163 -0.96 . . . . 0.0 110.055 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.4 -37.63 81.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.234 -0.916 . . . . 0.0 109.422 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.68 -47.26 86.32 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -130.61 62.31 1.6 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.569 -0.707 . . . . 0.0 109.455 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.491 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.022 -1.049 . . . . 0.0 109.127 179.606 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -72.7 145.05 47.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.121 179.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.28 61.97 6.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.073 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.25 -40.04 94.86 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.479 -0.763 . . . . 0.0 108.952 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.506 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.17 -42.64 95.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 108.857 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.506 ' N ' HG23 ' C' ' 5' ' ' THR . 59.1 tp -59.95 -43.58 94.94 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.922 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.31 -39.97 96.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.499 -0.75 . . . . 0.0 109.183 178.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.24 91.96 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.226 -0.921 . . . . 0.0 108.794 -179.405 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.8 -44.47 69.35 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -49.97 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 0.0 109.473 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.13 -47.19 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.253 -0.905 . . . . 0.0 109.212 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.82 -40.07 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 109.065 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.9 -43.71 94.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.361 -0.837 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.26 -41.49 93.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.972 -1.08 . . . . 0.0 109.492 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.11 -42.6 95.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.071 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.35 -40.78 94.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.444 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.13 -44.33 97.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.02 -1.05 . . . . 0.0 109.131 179.12 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.25 -42.71 95.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.361 -0.837 . . . . 0.0 109.174 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 19' ' ' ASP . . . . . 0.482 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.0 t0 -59.96 -47.24 86.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 110.003 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.93 -40.05 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.85 -40.26 94.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.606 -0.684 . . . . 0.0 109.586 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.482 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.9 mpt_? -60.38 -42.77 96.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 108.909 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 0.0 108.991 179.731 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -60.05 -45.67 92.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.59 -41.15 84.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.0 -40.72 98.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.34 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.04 -40.75 90.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 109.585 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.72 -39.95 90.52 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.966 -1.084 . . . . 0.0 109.408 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.434 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.9 mt -64.43 -40.25 95.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.62 -179.612 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -61.73 -40.0 93.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.058 -1.026 . . . . 0.0 109.484 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.01 -40.06 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.421 -0.799 . . . . 0.0 109.311 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -59.97 -48.07 83.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.886 . . . . 0.0 110.448 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -47.76 89.42 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.409 -179.186 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.925 -1.338 . . . . 0.0 109.343 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.3 -39.99 92.49 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.286 -0.884 . . . . 0.0 109.1 179.101 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.99 -40.07 87.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.838 -1.164 . . . . 0.0 108.388 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -40.05 87.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.257 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -60.12 -41.14 91.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.69 -1.256 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.594 HH22 ' CG ' ' A' ' 82' ' ' ASN . 49.6 mtt-85 -62.4 -39.94 94.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 0.0 108.314 178.645 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.08 -42.74 94.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.65 -0.656 . . . . 0.0 109.909 -179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.88 -1.138 . . . . 0.0 110.058 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.47 98.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.163 . . . . 0.0 108.086 179.062 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.43 -39.69 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.881 -0.512 . . . . 0.0 109.869 179.23 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.97 -40.36 88.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.158 -0.964 . . . . 0.0 109.122 -178.615 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.63 -42.49 99.62 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 109.684 179.643 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.7 m-85 -69.18 -38.21 78.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.31 -0.869 . . . . 0.0 109.691 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.424 ' CD2' HE22 ' B' ' 52' ' ' GLN . 50.0 mt -60.0 -40.05 87.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.978 -1.076 . . . . 0.0 109.176 179.728 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -63.44 -40.0 95.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.121 . . . . 0.0 108.759 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 0.0 109.097 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.424 HE22 ' CD2' ' A' ' 49' ' ' LEU . 37.7 mt-30 -60.56 -39.92 89.73 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.897 -1.127 . . . . 0.0 109.3 179.117 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.486 ' O ' ' ND2' ' C' ' 56' ' ' ASN . . . -56.32 -32.45 64.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.968 -1.082 . . . . 0.0 108.233 179.204 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.51 -38.17 80.25 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.73 110.73 4.45 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 67.9 m-80 -134.63 -69.08 0.52 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.405 -0.81 . . . . 0.0 109.734 -179.833 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.43 88.04 1.48 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.334 -0.854 . . . . 0.0 109.168 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.468 ' C ' ' H ' ' C' ' 60' ' ' ALA . 64.8 m95 -104.31 148.95 25.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.531 -0.731 . . . . 0.0 110.09 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.97 9.29 0.53 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -80.93 25.33 0.46 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.322 -1.105 . . . . 0.0 109.114 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.94 111.29 2.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.005 -1.059 . . . . 0.0 110.568 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -105.55 12.78 30.91 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.485 -0.76 . . . . 0.0 109.846 178.584 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -116.09 21.53 13.64 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -151.33 152.01 32.56 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -109.94 59.51 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.032 -1.043 . . . . 0.0 109.033 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.81 158.38 42.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 109.719 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -123.27 132.33 53.98 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.42 121.12 41.01 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.207 -0.933 . . . . 0.0 111.415 -177.616 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.601 HG23 ' O ' ' C' ' 69' ' ' THR . 10.3 t -109.75 119.37 39.16 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.711 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.572 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 87.3 t -123.28 90.49 50.42 Favored Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.319 -0.863 . . . . 0.0 109.494 -179.249 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.49 67.57 7.31 Favored 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 122.555 2.17 . . . . 0.0 111.936 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' C' ' 73' ' ' PRO . 21.5 t90 -68.8 131.21 91.24 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.966 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' C' ' 72' ' ' TRP . 58.7 Cg_exo -38.4 149.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.531 1.488 . . . . 0.0 111.388 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.4 OUTLIER -127.52 -60.04 1.19 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.273 -0.892 . . . . 0.0 109.283 -179.299 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.58 125.67 35.31 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.88 108.97 15.82 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.1 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.5 mt -82.21 136.85 35.03 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.374 0.607 . . . . 0.0 109.947 -178.454 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.65 HG23 ' O ' ' C' ' 78' ' ' THR . 15.2 t -90.58 112.75 54.83 Favored Pre-proline 0 N--CA 1.494 1.768 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -94.68 -47.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 121.65 1.567 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -119.97 -46.43 2.43 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.253 -0.904 . . . . 0.0 112.99 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -60.04 -56.22 24.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.339 -1.476 . . . . 0.0 112.502 -176.264 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.682 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.2 OUTLIER -76.33 -37.83 56.8 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.077 -1.64 . . . . 0.0 109.856 -179.021 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -59.98 -44.23 94.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.222 -0.924 . . . . 0.0 109.085 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -46.0 90.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.102 -0.999 . . . . 0.0 108.503 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.7 p -67.25 -40.02 86.2 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.0 108.981 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 38.1 t-105 -62.65 -39.92 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.091 -1.005 . . . . 0.0 109.561 -179.783 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.12 -40.64 90.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.587 -1.32 . . . . 0.0 108.447 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.68 -39.85 92.9 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.515 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.428 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 54.5 t90 -60.1 -48.62 80.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -41.05 98.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.037 -1.039 . . . . 0.0 109.567 179.493 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -63.1 -41.83 99.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 110.539 -179.535 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.92 -43.49 98.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.866 -1.146 . . . . 0.0 109.743 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.61 -40.54 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.01 -40.02 91.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.147 -0.97 . . . . 0.0 111.162 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.96 -39.97 79.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.638 -1.289 . . . . 0.0 109.59 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.13 -0.981 . . . . 0.0 109.657 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.98 -40.43 96.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 110.201 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.985 -1.072 . . . . 0.0 109.479 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.83 -40.83 95.83 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.206 -0.934 . . . . 0.0 109.328 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.56 -46.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.25 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.1 p -60.03 -42.34 94.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.218 -0.926 . . . . 0.0 109.972 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.45 96.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.058 -1.026 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.27 -40.43 93.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.222 -0.924 . . . . 0.0 109.63 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.56 -40.79 97.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.068 -1.02 . . . . 0.0 109.222 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.02 -48.14 82.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.156 -0.965 . . . . 0.0 109.302 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.6 -41.55 97.61 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.178 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.2 83.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.557 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -59.94 -45.23 93.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.16 -45.44 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 109.207 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -69.44 -39.98 77.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.17 -49.96 75.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.994 -1.066 . . . . 0.0 109.783 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.17 -42.93 96.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.05 -41.85 97.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.286 -0.884 . . . . 0.0 109.799 -179.524 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -63.67 -44.85 92.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.98 -1.075 . . . . 0.0 109.259 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 51.7 ttp -67.58 -40.01 84.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.348 -0.845 . . . . 0.0 108.729 179.453 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.96 -43.73 94.88 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.435 -0.791 . . . . 0.0 109.588 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.59 -40.01 88.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 0.0 108.922 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.29 -42.3 95.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.478 -0.764 . . . . 0.0 109.704 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' C' ' 123' ' ' SER . 93.4 mt-30 -61.05 -42.66 98.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.098 -1.002 . . . . 0.0 110.106 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.96 -37.86 80.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 179.759 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.34 -47.44 85.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -130.55 62.5 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.61 -0.681 . . . . 0.0 109.431 179.314 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.135 179.654 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -70.33 144.02 51.81 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.271 -0.893 . . . . 0.0 109.076 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -89.33 58.53 4.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -0.963 . . . . 0.0 109.566 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -62.64 -39.98 95.56 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 108.753 179.421 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.5 t -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.425 -0.797 . . . . 0.0 109.74 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' N ' HG23 ' A' ' 5' ' ' THR . 58.6 tp -59.98 -45.83 91.44 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.394 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.55 -40.02 93.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.17 88.15 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.84 63.89 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.95 -47.66 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -1.081 . . . . 0.0 109.317 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.0 108.916 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.72 -39.96 90.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 109.892 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.05 -40.96 91.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.084 -1.01 . . . . 0.0 109.103 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.62 -40.06 90.5 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.141 -0.974 . . . . 0.0 109.04 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.94 -44.24 94.5 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.094 -1.003 . . . . 0.0 108.986 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.34 -42.87 96.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.164 -0.96 . . . . 0.0 109.265 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.28 -42.08 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.196 -0.94 . . . . 0.0 109.095 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.09 -43.78 95.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.402 -0.811 . . . . 0.0 109.273 179.343 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.11 -47.97 83.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.302 -0.873 . . . . 0.0 110.016 -179.322 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.99 -40.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.314 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -44.92 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.935 . . . . 0.0 109.064 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -41.55 92.41 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.502 -0.749 . . . . 0.0 109.036 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 52.3 mtt-85 -60.88 -40.01 91.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.729 -179.598 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.14 -40.03 88.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.176 -0.952 . . . . 0.0 109.142 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.964 . . . . 0.0 108.899 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.44 -42.33 95.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 0.0 109.161 179.623 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 HD13 ' B' ' 28' ' ' LEU . 23.8 tp -61.19 -41.85 97.54 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.358 -0.839 . . . . 0.0 109.023 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 HD23 ' C' ' 27' ' ' LEU . 23.1 mt -60.06 -40.4 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.422 -0.799 . . . . 0.0 109.587 179.654 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.97 -40.1 87.92 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.069 -1.019 . . . . 0.0 109.143 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.9 mt -61.5 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.983 -1.073 . . . . 0.0 109.602 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.2 p -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.098 -1.001 . . . . 0.0 109.418 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.35 -40.23 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.02 -41.2 91.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -48.38 86.35 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.118 -1.225 . . . . 0.0 109.878 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.945 . . . . 0.0 109.917 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.459 HD21 HH21 ' A' ' 41' ' ' ARG . 48.1 t-20 -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.163 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.87 -40.09 91.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.955 -1.091 . . . . 0.0 109.447 179.56 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -59.97 -40.83 90.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 43' ' ' THR . 72.7 p -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 39.2 mtt-85 -67.84 -39.18 83.89 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.108 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -41.99 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.088 -1.008 . . . . 0.0 108.496 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 40' ' ' THR . 82.0 p -60.14 -40.26 89.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.007 -1.058 . . . . 0.0 108.845 179.252 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.98 97.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.282 -1.511 . . . . 0.0 108.804 178.763 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.61 -40.0 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.535 -0.728 . . . . 0.0 110.247 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.843 -1.161 . . . . 0.0 109.541 -179.118 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.28 -39.99 96.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.711 -1.243 . . . . 0.0 109.677 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.7 m-85 -69.21 -40.04 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.754 ' HB3' HD21 ' A' ' 74' ' ' ASN . 80.2 mt -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.549 -1.344 . . . . 0.0 108.789 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.54 -40.01 89.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.938 -1.101 . . . . 0.0 108.74 178.524 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.55 86.2 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -59.3 -40.01 84.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.099 -1.0 . . . . 0.0 108.643 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.93 77.57 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.835 -1.166 . . . . 0.0 108.208 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -39.93 87.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.09 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.95 114.85 8.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.006 -1.058 . . . . 0.0 108.408 179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -133.43 -58.89 0.88 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.372 -0.83 . . . . 0.0 110.819 -179.101 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.732 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.1 117.25 4.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.11 -0.994 . . . . 0.0 110.421 -178.559 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.702 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 83.6 m95 -102.28 125.2 48.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.327 -0.858 . . . . 0.0 110.327 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.43 24.73 71.0 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.816 -1.183 . . . . 0.0 110.591 178.527 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.03 23.28 0.14 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.651 -1.499 . . . . 0.0 108.852 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.7 115.28 2.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -117.04 11.74 14.34 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.261 -0.899 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -138.51 25.07 2.65 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.437 ' NE2' ' CD1' ' C' ' 62' ' ' PHE . 33.3 mt-30 -142.79 152.88 42.72 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.74 57.69 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.972 -1.08 . . . . 0.0 108.662 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 157.53 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.415 -0.803 . . . . 0.0 109.984 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -130.19 134.08 47.03 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 68' ' ' THR . 8.8 t -88.98 113.58 24.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.297 . . . . 0.0 109.488 -178.658 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 69' ' ' THR . 8.9 t -113.26 122.79 48.51 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -129.15 81.84 69.69 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 109.738 -178.818 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.63 61.43 5.36 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.912 2.408 . . . . 0.0 111.651 179.5 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.8 t90 -70.28 130.14 89.74 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 109.549 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.0 Cg_exo -40.61 148.85 0.18 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.268 1.312 . . . . 0.0 110.808 179.149 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.754 HD21 ' HB3' ' A' ' 49' ' ' LEU . 59.0 t30 -127.83 -48.27 1.37 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.304 -0.872 . . . . 0.0 109.767 -179.101 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.29 126.66 35.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 108.645 179.746 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.28 110.32 15.61 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.82 135.17 36.41 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.675 0.75 . . . . 0.0 109.795 -178.311 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 78' ' ' THR . 5.3 t -92.23 113.86 60.47 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -90.26 -48.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.153 0 C-N-CA 121.655 1.57 . . . . 0.0 113.946 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.89 2.3 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -177.063 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -60.03 -47.83 84.22 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.288 -1.508 . . . . 0.0 112.611 -175.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.4 t30 -70.39 -44.87 67.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 119.89 -1.756 . . . . 0.0 110.04 -179.803 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -60.13 -49.94 75.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 110.765 -178.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -64.89 -41.95 95.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.741 -1.225 . . . . 0.0 109.927 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -70.04 -40.02 75.4 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.114 -0.992 . . . . 0.0 109.692 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.437 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 39.9 t-105 -68.34 -39.98 81.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.398 -179.463 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.746 -1.221 . . . . 0.0 108.457 179.307 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -42.95 95.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.787 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.3 t90 -59.97 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.44 -0.787 . . . . 0.0 109.157 179.082 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.14 -41.62 98.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.352 -0.842 . . . . 0.0 109.277 179.589 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.26 -42.94 96.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 110.505 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.48 94.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.674 -1.266 . . . . 0.0 109.14 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.99 -40.97 89.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.284 -0.885 . . . . 0.0 108.831 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.01 -48.18 82.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.44 -0.788 . . . . 0.0 110.021 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -60.46 -47.58 85.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.938 -1.101 . . . . 0.0 109.632 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.59 -42.07 98.33 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.26 -0.9 . . . . 0.0 109.319 -179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.99 -46.11 92.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.53 -41.9 96.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.987 -179.248 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.464 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 47.0 t-20 -66.17 -40.03 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.662 -179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.18 -40.13 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 0.0 109.587 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -60.95 -40.62 94.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.01 75.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.346 -0.846 . . . . 0.0 109.783 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.09 -42.35 99.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -49.98 75.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 108.862 179.283 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -48.53 81.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.365 -0.834 . . . . 0.0 109.116 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.99 -40.98 95.54 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.304 -0.872 . . . . 0.0 109.353 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.43 97.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 109.719 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.07 -47.32 86.36 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.152 -0.968 . . . . 0.0 109.135 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.53 -50.01 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.008 . . . . 0.0 109.134 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.15 -40.14 96.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.497 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.95 -49.0 79.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.741 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -40.04 94.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 109.677 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -62.38 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.08 -1.012 . . . . 0.0 109.75 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.43 -43.48 98.79 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.091 -1.005 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.85 -41.17 97.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.834 . . . . 0.0 109.704 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.061 -1.024 . . . . 0.0 109.139 179.28 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -39.72 86.63 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.448 -0.782 . . . . 0.0 108.983 179.275 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.3 -42.86 92.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.484 -0.76 . . . . 0.0 109.249 -179.192 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.15 -40.06 94.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.113 -0.992 . . . . 0.0 109.712 179.488 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -60.01 -34.32 73.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.33 -0.856 . . . . 0.0 109.603 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.7 mt -56.82 -47.74 79.61 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.998 -1.064 . . . . 0.0 108.451 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -145.27 66.38 1.24 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.042 -1.036 . . . . 0.0 109.866 179.168 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 117.898 -1.048 . . . . 0.0 108.739 179.11 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -70.29 144.13 51.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.111 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -89.55 58.89 4.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.385 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -63.11 -40.03 96.43 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.466 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -59.99 -40.9 90.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.431 -0.793 . . . . 0.0 109.754 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.466 ' N ' HG23 ' B' ' 5' ' ' THR . 59.3 tp -59.93 -46.22 90.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.401 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.15 -39.95 92.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.663 -0.648 . . . . 0.0 109.328 178.572 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.02 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -47.12 65.28 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 178.761 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.93 -47.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.288 -1.125 . . . . 0.0 109.234 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.8 t -59.94 -47.3 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.049 -1.032 . . . . 0.0 109.254 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.79 -40.03 91.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.89 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.0 -41.0 91.16 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.0 109.242 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.41 -40.11 89.82 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.005 -1.059 . . . . 0.0 109.079 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.02 -43.85 94.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.331 -0.856 . . . . 0.0 109.019 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -42.55 98.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.167 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.6 -42.08 99.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.96 . . . . 0.0 109.098 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.0 tp -60.05 -43.71 95.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.0 109.133 179.37 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.94 -47.94 83.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.04 -40.03 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -44.94 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.152 -0.967 . . . . 0.0 109.081 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -41.49 92.56 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.486 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 50.4 mtt-85 -61.1 -40.07 92.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.632 -0.668 . . . . 0.0 109.548 -179.559 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.145 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.02 -49.77 76.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -42.29 97.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.011 -1.056 . . . . 0.0 108.953 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.19 -41.62 97.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.437 -0.79 . . . . 0.0 109.052 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.43 HD13 HD23 ' A' ' 27' ' ' LEU . 21.6 mt -60.34 -40.02 89.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 109.554 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.11 89.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.149 -0.969 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.465 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.6 mt -61.55 -41.87 98.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.882 . . . . 0.0 109.562 179.517 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -63.03 -40.05 96.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.229 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -40.0 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.301 -0.875 . . . . 0.0 108.835 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.441 -0.787 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.77 -48.31 86.7 Favored Glycine 0 N--CA 1.487 2.077 0 C-N-CA 119.422 -1.37 . . . . 0.0 109.714 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.05 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.057 -1.261 . . . . 0.0 109.944 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.15 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.456 HD21 HH21 ' B' ' 41' ' ' ARG . 47.9 t-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.985 . . . . 0.0 109.154 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.05 -40.01 92.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.026 -1.046 . . . . 0.0 109.554 179.598 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.02 -40.84 90.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.025 . . . . 0.0 109.858 -179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.3 p -60.11 -40.0 88.14 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.509 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 39.5 mtt-85 -67.76 -39.1 84.18 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -42.04 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.065 -1.022 . . . . 0.0 108.44 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 82.5 p -60.02 -40.24 88.6 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.942 -1.099 . . . . 0.0 108.907 179.132 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.52 98.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.38 -1.45 . . . . 0.0 108.689 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.01 -39.96 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.51 -0.744 . . . . 0.0 110.338 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.91 -1.119 . . . . 0.0 109.489 -179.13 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.31 -39.99 96.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.774 -1.204 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.07 -39.97 78.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.685 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.728 ' HB3' HD21 ' B' ' 74' ' ' ASN . 80.3 mt -60.0 -40.56 89.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.673 -1.267 . . . . 0.0 108.755 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.33 -40.09 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.042 -1.036 . . . . 0.0 108.679 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.96 -39.63 86.27 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 1.0 OUTLIER -59.32 -39.73 84.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.096 -1.002 . . . . 0.0 108.637 -179.841 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.95 78.7 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.816 -1.178 . . . . 0.0 108.217 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.96 -39.97 87.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.971 . . . . 0.0 108.975 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -69.86 114.61 8.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.039 -1.038 . . . . 0.0 108.366 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -133.23 -58.94 0.89 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.417 -0.802 . . . . 0.0 110.782 -179.169 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.702 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.97 117.05 4.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.082 -1.011 . . . . 0.0 110.531 -178.607 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.705 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 83.8 m95 -102.05 124.97 48.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.275 -0.891 . . . . 0.0 110.473 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.64 24.55 71.2 Favored Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.516 178.542 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.448 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.71 22.36 0.14 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.799 -1.412 . . . . 0.0 109.015 -179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.58 115.84 2.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.305 -0.872 . . . . 0.0 108.981 179.198 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -117.5 12.08 14.03 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.257 -0.902 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -139.02 25.44 2.51 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -143.11 153.22 42.68 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.628 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.14 57.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.101 -0.999 . . . . 0.0 108.554 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.23 157.5 41.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 109.972 179.541 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -130.01 134.3 47.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 68' ' ' THR . 8.8 t -89.28 113.7 24.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.561 -1.337 . . . . 0.0 109.54 -178.788 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 69' ' ' THR . 8.9 t -113.32 122.51 47.61 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -128.62 81.88 69.78 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.42 61.26 5.52 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.74 2.293 . . . . 0.0 111.801 179.406 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 12.7 t90 -70.09 130.15 90.02 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.434 -0.791 . . . . 0.0 109.548 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 91.3 Cg_exo -40.71 148.73 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.358 1.372 . . . . 0.0 110.774 179.152 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.728 HD21 ' HB3' ' B' ' 49' ' ' LEU . 59.2 t30 -127.63 -48.21 1.4 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.334 -0.854 . . . . 0.0 109.709 -179.065 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.86 36.04 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.199 -0.938 . . . . 0.0 108.59 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.51 110.35 15.89 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -80.11 134.89 36.22 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.695 0.759 . . . . 0.0 109.783 -178.197 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.557 HG23 ' O ' ' B' ' 78' ' ' THR . 5.7 t -91.9 113.8 60.03 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.773 . . . . 0.0 108.977 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -90.21 -48.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.599 1.533 . . . . 0.0 113.863 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.39 -43.65 2.29 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -47.89 83.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.251 -1.531 . . . . 0.0 112.569 -175.686 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.4 t30 -70.31 -44.79 67.55 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.02 -1.675 . . . . 0.0 110.163 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -60.25 -49.93 75.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.154 -0.966 . . . . 0.0 110.82 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.86 -41.92 95.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.875 -1.141 . . . . 0.0 110.043 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -70.1 -40.01 75.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.163 -0.96 . . . . 0.0 109.656 179.691 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.447 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 40.2 t-105 -68.37 -39.99 81.58 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.01 -1.056 . . . . 0.0 109.341 -179.406 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -60.02 -41.09 91.45 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.81 -1.181 . . . . 0.0 108.425 179.251 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.38 -42.66 96.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.447 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 55.8 t90 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.122 179.025 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 -41.67 98.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.342 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -60.23 -42.81 95.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.274 -0.891 . . . . 0.0 110.518 -179.698 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.77 95.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.061 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.328 -0.857 . . . . 0.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.1 -48.46 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -60.58 -47.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.104 -0.997 . . . . 0.0 109.776 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.88 -42.27 98.86 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.139 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.352 -0.843 . . . . 0.0 109.545 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.68 -41.41 96.08 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 110.067 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 47.2 t-20 -66.23 -40.0 89.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 0.0 109.708 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.32 -40.0 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.06 -1.025 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -61.01 -41.14 95.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.98 75.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.393 -0.817 . . . . 0.0 109.852 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.441 HD11 ' HE ' ' A' ' 23' ' ' ARG . 82.8 mt -62.1 -42.5 99.28 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.016 -1.052 . . . . 0.0 108.914 -179.533 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.962 . . . . 0.0 108.886 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -48.77 80.34 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.3 -0.875 . . . . 0.0 109.061 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.7 -40.84 93.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 0.0 109.479 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.3 98.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -59.95 -47.88 83.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -50.06 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 109.345 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.29 -40.01 96.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -59.94 -49.04 79.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 109.605 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.51 -40.05 94.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.96 -40.04 94.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 109.868 179.604 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -61.44 -43.83 98.19 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.219 -0.926 . . . . 0.0 109.155 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -41.52 98.52 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.96 -44.76 94.22 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.085 -1.009 . . . . 0.0 109.134 179.429 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.06 -39.34 85.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.434 -0.791 . . . . 0.0 109.184 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.96 -42.5 94.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.46 -0.775 . . . . 0.0 109.237 -179.116 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 92.4 mt-30 -62.35 -40.01 95.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.098 -1.001 . . . . 0.0 109.584 179.541 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -60.05 -34.24 73.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.644 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 91.1 mt -56.77 -48.34 78.08 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -144.52 65.91 1.27 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.999 -1.063 . . . . 0.0 110.056 179.202 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 p . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.935 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -70.14 144.36 52.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.387 -0.821 . . . . 0.0 109.079 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -89.8 58.71 4.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 109.394 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -62.92 -39.97 96.18 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.474 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.4 t -60.06 -41.08 91.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.453 -0.779 . . . . 0.0 109.699 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.474 ' N ' HG23 ' C' ' 5' ' ' THR . 58.2 tp -60.03 -45.77 91.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.921 -1.112 . . . . 0.0 108.093 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.36 -40.04 92.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.598 -0.688 . . . . 0.0 109.286 178.598 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.16 88.14 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.81 -47.29 61.8 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 178.815 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -47.4 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.305 -1.115 . . . . 0.0 109.209 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.06 -47.54 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.46 -40.02 89.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 0.0 109.888 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -40.81 90.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.97 -1.081 . . . . 0.0 109.247 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.53 -40.21 90.68 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.024 -1.047 . . . . 0.0 109.177 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -44.12 94.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.33 -0.856 . . . . 0.0 108.954 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.61 -42.74 97.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.205 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.46 -42.05 99.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.0 109.118 179.293 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.172 179.298 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.02 -47.94 83.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.316 -0.865 . . . . 0.0 110.185 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.06 -40.07 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.002 -1.061 . . . . 0.0 109.457 -179.587 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.93 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.159 -0.963 . . . . 0.0 108.999 179.819 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.07 -41.58 92.68 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.389 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.464 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 51.7 mtt-85 -60.9 -39.94 91.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.59 -0.693 . . . . 0.0 109.671 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.17 -39.97 88.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.874 . . . . 0.0 109.349 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.93 -49.87 75.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.975 . . . . 0.0 108.924 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.71 -42.34 97.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 108.936 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.426 HD23 HD13 ' A' ' 28' ' ' LEU . 23.9 tp -61.22 -41.67 97.26 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.345 -0.847 . . . . 0.0 109.085 179.543 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.31 -40.27 89.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.576 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.05 -40.12 88.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.091 -1.006 . . . . 0.0 109.091 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -61.62 -41.87 98.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.562 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -63.0 -40.03 96.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.0 109.453 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.51 -40.05 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -59.87 -41.17 90.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.704 . . . . 0.0 110.276 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.4 86.27 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.01 -49.92 75.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.23 -1.159 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 110.227 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.442 HD21 HH21 ' C' ' 41' ' ' ARG . 47.7 t-20 -59.96 -40.07 87.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.124 -0.985 . . . . 0.0 109.106 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.92 -40.1 91.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.075 -1.016 . . . . 0.0 109.63 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.95 -40.84 90.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.115 -0.991 . . . . 0.0 109.9 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 68.5 p -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.7 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 39.8 mtt-85 -67.85 -38.99 83.85 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.888 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -42.11 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.065 -1.022 . . . . 0.0 108.615 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 82.7 p -60.07 -39.96 87.83 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.18 -0.95 . . . . 0.0 108.83 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.04 97.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.358 -1.464 . . . . 0.0 108.648 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.45 -40.0 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.52 -0.737 . . . . 0.0 110.274 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.99 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.847 -1.158 . . . . 0.0 109.501 -179.169 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.25 -40.11 96.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.737 -1.227 . . . . 0.0 109.667 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 58.7 m-85 -69.09 -39.98 78.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.757 ' HB3' HD21 ' C' ' 74' ' ' ASN . 80.6 mt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.58 -1.325 . . . . 0.0 108.786 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.96 -39.99 91.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.942 -1.099 . . . . 0.0 108.686 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.38 85.58 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 1.0 OUTLIER -59.5 -40.0 85.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.84 77.12 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.744 -1.222 . . . . 0.0 108.265 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 73.5 mt -69.89 114.88 8.49 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -133.5 -59.13 0.87 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.835 -179.097 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.705 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.03 116.99 4.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.114 -0.991 . . . . 0.0 110.375 -178.465 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.732 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 83.7 m95 -102.32 124.98 48.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.299 -0.875 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.54 24.86 71.23 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.51 178.602 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.89 23.06 0.14 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.731 -1.453 . . . . 0.0 108.933 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.43 115.55 2.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.057 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.437 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 33.5 m-85 -117.36 11.84 14.09 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.35 -0.844 . . . . 0.0 110.805 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -138.81 25.32 2.57 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 177.346 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -142.83 153.35 43.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.17 57.57 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.09 -1.006 . . . . 0.0 108.519 179.063 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.26 157.4 41.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.342 -0.849 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -130.01 134.17 47.24 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.565 HG23 ' O ' ' C' ' 68' ' ' THR . 8.7 t -88.88 113.96 24.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.683 -1.261 . . . . 0.0 109.334 -178.782 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.524 HG23 ' O ' ' C' ' 69' ' ' THR . 8.9 t -113.55 122.72 48.1 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 96.9 t -129.03 81.73 70.2 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.349 -0.844 . . . . 0.0 109.69 -178.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -85.6 61.65 5.41 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.781 2.321 . . . . 0.0 111.709 179.585 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -70.46 130.31 89.27 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.567 -0.708 . . . . 0.0 109.549 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -40.79 148.67 0.19 Allowed 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.325 1.35 . . . . 0.0 110.753 179.176 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.757 HD21 ' HB3' ' C' ' 49' ' ' LEU . 59.2 t30 -127.48 -48.34 1.42 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.386 -0.821 . . . . 0.0 109.788 -179.11 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.58 35.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.891 . . . . 0.0 108.839 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -80.29 110.01 15.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 mt -79.66 134.92 36.44 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.671 0.748 . . . . 0.0 109.76 -178.323 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.543 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -92.11 113.92 60.56 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.21 -48.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.53 1.487 . . . . 0.0 114.002 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.67 2.31 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -177.138 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.91 -48.2 82.67 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.353 -1.467 . . . . 0.0 112.592 -175.736 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.5 t30 -70.06 -44.98 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.98 -1.7 . . . . 0.0 110.18 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.03 -50.01 75.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.205 -0.935 . . . . 0.0 110.571 -178.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.88 -41.76 95.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.805 -1.184 . . . . 0.0 110.129 -179.178 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 42.4 p -70.17 -40.05 74.92 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.189 -0.945 . . . . 0.0 109.537 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.442 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.0 t-105 -68.33 -40.04 81.76 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.42 -179.298 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -60.0 -41.24 91.66 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.702 -1.248 . . . . 0.0 108.38 179.258 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.465 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.0 t90 -59.94 -50.05 75.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.465 -0.772 . . . . 0.0 109.089 179.064 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.43 -41.34 98.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.344 -0.848 . . . . 0.0 109.271 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.69 -42.84 97.94 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 110.444 -179.706 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -59.97 -42.5 94.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.043 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.8 -41.28 90.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.276 -0.89 . . . . 0.0 108.835 179.211 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.95 -48.2 82.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.344 -0.848 . . . . 0.0 109.871 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.59 -47.34 86.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.962 -1.086 . . . . 0.0 109.715 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.44 -42.53 98.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.187 -0.945 . . . . 0.0 109.243 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 -46.25 90.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 0.0 109.615 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -41.73 95.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.942 -179.167 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.486 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 47.0 t-20 -66.13 -39.92 90.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 0.0 109.641 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.3 -40.13 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.014 -1.054 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -60.99 -41.24 96.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.457 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.02 75.33 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.285 -0.885 . . . . 0.0 109.941 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.426 HD11 ' HE ' ' B' ' 23' ' ' ARG . 82.5 mt -62.02 -42.35 99.07 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.026 -1.046 . . . . 0.0 108.92 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.0 -49.92 75.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.023 179.278 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -48.69 80.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.001 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.69 -41.13 94.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.292 -0.88 . . . . 0.0 109.386 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.659 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -60.03 -47.82 84.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.156 -0.965 . . . . 0.0 109.187 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.13 -49.98 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.0 109.367 179.192 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -60.02 -48.99 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.412 -0.805 . . . . 0.0 109.599 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.64 -40.0 94.69 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.99 -40.29 95.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.988 -1.07 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.22 -43.63 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.196 -0.94 . . . . 0.0 109.347 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.6 -41.54 98.32 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.24 -0.912 . . . . 0.0 109.552 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.91 -44.92 94.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.133 -0.98 . . . . 0.0 109.228 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -39.18 84.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.144 179.1 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.95 -42.42 94.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.579 -0.7 . . . . 0.0 109.236 -179.087 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.1 -1.0 . . . . 0.0 109.487 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -59.99 -33.86 72.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.249 -0.907 . . . . 0.0 109.763 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.08 -48.17 79.23 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.878 -1.139 . . . . 0.0 108.359 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -144.73 66.35 1.26 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.025 -1.047 . . . . 0.0 109.998 179.147 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.976 -1.012 . . . . 0.0 108.852 179.207 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -62.36 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.404 -0.81 . . . . 0.0 109.836 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.06 -45.49 92.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.011 -1.056 . . . . 0.0 108.768 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' N ' HG23 ' A' ' 5' ' ' THR . 59.6 tp -61.84 -44.43 96.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.064 -1.023 . . . . 0.0 108.783 178.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.32 -39.97 96.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.566 -0.708 . . . . 0.0 109.603 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.48 89.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.071 -1.018 . . . . 0.0 108.349 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.514 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -67.4 -48.31 58.47 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 178.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -49.0 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.337 -1.096 . . . . 0.0 109.106 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.68 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.45 -40.37 96.38 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 109.9 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.04 -41.23 91.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 109.375 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.23 -41.52 93.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.075 -1.015 . . . . 0.0 109.236 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.46 -44.06 96.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.164 -0.96 . . . . 0.0 109.249 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.61 -40.74 95.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.14 -0.975 . . . . 0.0 109.048 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.99 -40.54 95.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -0.865 . . . . 0.0 109.008 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.97 -44.37 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.0 -48.7 80.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.983 -179.45 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.07 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.95 -1.094 . . . . 0.0 108.919 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.09 -49.49 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -0.938 . . . . 0.0 108.517 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.02 -40.5 93.79 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -60.47 -39.94 89.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.663 -0.648 . . . . 0.0 109.759 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.08 -40.0 88.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 109.165 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.96 -44.8 94.19 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.085 -1.01 . . . . 0.0 108.993 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.87 -44.75 96.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.978 -1.076 . . . . 0.0 109.037 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.47 -41.61 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 109.501 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.99 -40.22 88.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 109.831 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.7 91.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 109.426 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.6 mt -61.79 -41.36 97.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.073 -1.017 . . . . 0.0 109.521 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -63.51 -40.1 96.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.06 -40.13 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.333 -0.854 . . . . 0.0 108.919 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -59.98 -43.37 95.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.41 -0.806 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.24 86.93 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.127 -1.219 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -60.6 -39.97 90.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.089 -1.007 . . . . 0.0 110.66 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.73 HD21 HH21 ' A' ' 41' ' ' ARG . 42.4 t30 -60.0 -40.73 90.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.95 -1.094 . . . . 0.0 109.547 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.42 -39.95 89.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.073 -1.017 . . . . 0.0 109.164 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.06 -41.6 92.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.308 -0.87 . . . . 0.0 109.768 -179.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -60.08 -40.92 91.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.89 -1.131 . . . . 0.0 108.643 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.73 HH21 HD21 ' A' ' 37' ' ' ASN . 87.0 mtt180 -66.19 -40.0 90.09 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.112 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -40.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.385 -0.822 . . . . 0.0 109.378 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.0 p -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.044 -1.035 . . . . 0.0 109.006 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.04 82.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.814 -1.179 . . . . 0.0 109.72 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.53 -41.6 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.071 -1.018 . . . . 0.0 111.053 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.25 -40.01 94.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.569 -1.332 . . . . 0.0 108.532 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.98 -45.49 92.55 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.195 179.106 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.6 m-85 -62.48 -39.93 95.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 178.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.66 -39.18 83.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.949 -1.094 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -39.89 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.871 -1.143 . . . . 0.0 108.83 178.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.03 -39.12 84.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.273 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.637 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 2.2 mp0 -59.92 -39.81 86.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.0 109.082 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.89 80.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.849 -1.157 . . . . 0.0 108.266 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.229 -0.92 . . . . 0.0 109.079 179.677 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.636 ' ND2' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.18 127.75 40.2 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -79.95 110.25 15.15 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.852 -1.155 . . . . 0.0 107.922 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.8 135.76 37.17 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.722 0.772 . . . . 0.0 109.743 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 78' ' ' THR . 9.3 t -91.43 116.08 65.72 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.689 -0.632 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.87 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.533 1.489 . . . . 0.0 114.274 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.33 -42.17 2.37 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.72 ' HE1' ' ND2' ' A' ' 82' ' ' ASN . 4.2 p90 -59.8 -49.17 78.75 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.332 -1.48 . . . . 0.0 113.098 -175.313 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.72 ' ND2' ' HE1' ' A' ' 81' ' ' TRP . 83.8 m-20 -72.99 -45.72 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 119.853 -1.78 . . . . 0.0 110.628 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.897 -1.127 . . . . 0.0 110.993 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.28 -42.25 88.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.699 -1.25 . . . . 0.0 109.63 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 81' ' ' TRP . 77.5 p -70.04 -40.0 75.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.218 -0.926 . . . . 0.0 110.117 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.408 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 27.9 t-105 -68.85 -40.19 79.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.472 -179.073 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.16 -42.46 94.97 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.425 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.08 -41.34 98.07 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 108.914 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.472 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 55.9 t90 -60.03 -49.99 75.5 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.379 -0.825 . . . . 0.0 109.513 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.07 -40.03 96.46 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.333 -0.854 . . . . 0.0 109.454 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.48 -41.92 99.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.291 -0.88 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.02 -43.37 95.3 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.703 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.19 -41.79 90.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -43.53 95.14 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.983 . . . . 0.0 110.426 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.14 -40.06 78.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.759 -1.213 . . . . 0.0 108.915 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.53 -43.74 93.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.399 -0.813 . . . . 0.0 109.704 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.55 -43.76 96.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.748 -1.22 . . . . 0.0 109.573 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.32 -40.18 93.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.832 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -64.95 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.432 -0.793 . . . . 0.0 109.873 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.19 -40.24 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.063 -1.023 . . . . 0.0 109.739 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -62.06 -40.66 96.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.071 -1.018 . . . . 0.0 109.287 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.38 82.01 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.236 -0.915 . . . . 0.0 109.753 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.54 -39.93 94.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.16 -0.962 . . . . 0.0 109.7 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.61 -41.92 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.037 -1.04 . . . . 0.0 109.059 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.14 -45.59 94.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.602 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.33 -39.99 89.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -0.856 . . . . 0.0 108.999 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.97 97.85 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.399 -0.813 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -49.75 76.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.044 -1.035 . . . . 0.0 109.207 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.07 -50.03 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.872 . . . . 0.0 109.039 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.5 tt0 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.454 -0.779 . . . . 0.0 109.923 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.02 -46.58 89.01 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.821 -179.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -39.98 92.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.03 -1.044 . . . . 0.0 109.493 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -65.91 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.111 -0.993 . . . . 0.0 110.222 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.42 -41.53 98.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.811 -1.181 . . . . 0.0 109.842 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.328 179.694 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -62.37 -40.05 95.17 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.557 -0.714 . . . . 0.0 109.892 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.564 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.3 t -60.02 -45.59 92.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.023 -1.048 . . . . 0.0 108.79 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.564 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -61.78 -43.93 97.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 108.915 178.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.85 -39.96 95.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.519 -0.738 . . . . 0.0 109.526 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.118 -0.989 . . . . 0.0 108.453 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.518 ' O ' ' NE2' ' C' ' 110' ' ' GLN . . . -67.91 -48.23 55.8 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -49.17 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.321 -1.105 . . . . 0.0 109.133 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.07 -45.71 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.004 -1.06 . . . . 0.0 108.678 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.53 -40.34 96.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.276 -0.89 . . . . 0.0 109.934 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.99 -41.49 92.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.308 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.251 -0.906 . . . . 0.0 109.288 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.19 -41.04 96.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.104 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -40.65 95.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.99 -44.31 94.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.08 -48.68 80.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.439 -0.788 . . . . 0.0 109.923 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.99 -40.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 0.0 108.972 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.48 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 108.534 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.09 -40.4 93.58 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.41 -40.07 89.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.642 -0.661 . . . . 0.0 109.722 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.107 -0.996 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.96 -44.87 94.16 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.196 -0.94 . . . . 0.0 108.883 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.85 -44.76 96.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.965 -1.084 . . . . 0.0 109.137 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.47 -41.69 94.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.477 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.99 -40.27 88.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.786 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.09 -40.84 91.01 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.16 -0.962 . . . . 0.0 109.42 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -61.59 -41.68 97.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.047 -1.033 . . . . 0.0 109.558 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -63.39 -40.0 96.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.429 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.0 t -61.08 -40.04 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 108.947 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -59.99 -43.26 95.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.64 -47.93 88.53 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.11 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.112 . . . . 0.0 110.217 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.52 -40.05 90.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.981 -1.074 . . . . 0.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.721 HD21 HH21 ' B' ' 41' ' ' ARG . 42.2 t30 -59.97 -40.65 89.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.862 -1.149 . . . . 0.0 109.534 -179.647 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.53 -39.93 89.64 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -41.46 92.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 0.0 109.699 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' B' ' 43' ' ' THR . 70.3 p -60.11 -41.15 91.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.009 -1.057 . . . . 0.0 108.586 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.721 HH21 HD21 ' B' ' 37' ' ' ASN . 87.1 mtt180 -66.06 -40.04 90.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.351 -0.843 . . . . 0.0 109.399 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 40' ' ' THR . 68.1 p -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.957 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.12 83.06 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.81 -1.181 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.54 -41.61 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.996 -1.065 . . . . 0.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.23 -39.92 94.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.53 -1.357 . . . . 0.0 108.529 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -45.53 92.58 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.196 179.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.543 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 35.7 m-85 -62.35 -39.94 94.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.66 -39.35 84.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.873 -1.142 . . . . 0.0 108.868 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.921 -1.112 . . . . 0.0 108.743 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.01 -39.07 84.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.657 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 2.1 mp0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.098 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.81 79.87 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.836 -1.165 . . . . 0.0 108.254 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 0.0 109.093 179.689 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.637 ' ND2' ' NE2' ' A' ' 52' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.98 127.77 39.94 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 10.3 p -80.16 110.37 15.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.3 mt -78.98 135.94 37.07 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.707 0.765 . . . . 0.0 109.78 -178.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.614 ' O ' HG23 ' B' ' 78' ' ' THR . 8.9 t -91.43 115.99 65.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -89.82 -47.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.405 1.403 . . . . 0.0 114.211 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.47 -42.23 2.35 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -176.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.736 ' HE1' ' ND2' ' B' ' 82' ' ' ASN . 4.2 p90 -59.78 -49.1 79.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.305 -1.497 . . . . 0.0 113.016 -175.251 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.736 ' ND2' ' HE1' ' B' ' 81' ' ' TRP . 84.2 m-20 -73.07 -45.68 55.95 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.778 -1.827 . . . . 0.0 110.6 -179.342 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.881 -1.137 . . . . 0.0 110.98 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.745 -1.222 . . . . 0.0 109.7 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 81' ' ' TRP . 75.1 p -70.16 -40.02 74.97 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.213 -0.929 . . . . 0.0 110.096 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.419 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 28.1 t-105 -69.0 -39.96 79.03 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 118.652 -1.219 . . . . 0.0 109.478 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.52 -42.38 96.33 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.706 -1.197 . . . . 0.0 108.405 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.01 -41.5 98.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 108.794 178.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.471 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 55.7 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.525 -0.735 . . . . 0.0 109.411 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.96 -39.99 96.35 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.259 -0.901 . . . . 0.0 109.547 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -62.64 -41.73 99.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 110.354 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.94 -43.66 94.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.784 -1.198 . . . . 0.0 108.657 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.86 -42.04 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.358 -0.839 . . . . 0.0 109.032 178.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 62.2 t0 -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.975 . . . . 0.0 110.55 -179.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 -39.97 78.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.678 -1.264 . . . . 0.0 109.01 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.51 -43.67 93.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.424 -0.798 . . . . 0.0 109.59 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -44.26 96.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.885 -1.134 . . . . 0.0 109.497 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.88 -40.19 92.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.295 -0.878 . . . . 0.0 109.368 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.365 -0.834 . . . . 0.0 109.945 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.14 -40.31 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.101 -1.0 . . . . 0.0 109.689 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.5 -40.22 96.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.943 -1.098 . . . . 0.0 109.272 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.51 81.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.3 -0.875 . . . . 0.0 109.74 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.38 -40.02 95.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.613 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.62 -42.09 91.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 109.12 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.67 -46.19 91.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.333 -0.855 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.97 -39.85 90.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.309 -0.87 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.85 98.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.338 -0.851 . . . . 0.0 109.394 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.075 -1.016 . . . . 0.0 109.351 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.406 ' CG2' ' HZ3' ' B' ' 113' ' ' LYS . 85.6 mt -60.09 -50.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.876 . . . . 0.0 109.1 179.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.6 tt0 -61.01 -39.96 91.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.509 -0.745 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.08 -46.33 89.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.859 . . . . 0.0 109.783 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.73 -40.0 91.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.009 -1.057 . . . . 0.0 109.586 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.406 ' HZ3' ' CG2' ' B' ' 109' ' ' ILE . 34.3 mttp -65.79 -40.01 91.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.047 -1.033 . . . . 0.0 110.166 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.56 -42.0 99.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.806 -1.184 . . . . 0.0 109.703 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.487 1.401 0 O-C-N 121.172 -0.955 . . . . 0.0 109.479 179.735 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -62.31 -40.02 94.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.524 -0.735 . . . . 0.0 109.851 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.57 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.1 t -59.94 -45.75 91.61 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 108.742 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.57 ' N ' HG23 ' C' ' 5' ' ' THR . 59.8 tp -61.62 -44.31 97.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.141 -0.974 . . . . 0.0 108.882 178.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.49 -39.92 95.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 0.0 109.622 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.96 87.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.007 -1.058 . . . . 0.0 108.41 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . 0.487 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -68.05 -48.25 54.82 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.14 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.507 -0.996 . . . . 0.0 109.167 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.03 -45.78 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 108.686 179.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.43 -40.43 96.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.02 -41.35 91.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.118 -0.989 . . . . 0.0 109.283 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.99 -41.91 93.08 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.068 -1.02 . . . . 0.0 109.157 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.38 -44.07 96.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.217 -0.927 . . . . 0.0 109.214 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.42 -40.82 95.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.147 -0.971 . . . . 0.0 109.007 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.0 -40.47 94.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.817 . . . . 0.0 109.003 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.03 -48.65 80.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 0.0 109.981 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.99 -40.96 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 108.943 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.92 -49.44 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.0 108.59 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -61.12 -40.53 94.12 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.678 -0.639 . . . . 0.0 109.795 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.172 -0.955 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.04 -45.03 94.18 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.115 -0.99 . . . . 0.0 108.881 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.48 -45.15 94.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.999 -1.063 . . . . 0.0 109.044 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.15 -41.87 93.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.433 -0.792 . . . . 0.0 109.535 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.799 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.087 -1.008 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.472 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -61.36 -41.79 97.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 109.536 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.9 p -63.19 -40.18 96.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.441 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.07 -39.96 84.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.266 -0.896 . . . . 0.0 109.006 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.98 -43.33 95.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 0.0 110.261 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -48.08 87.77 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -50.04 75.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -1.202 . . . . 0.0 110.245 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.48 -40.01 89.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.047 -1.033 . . . . 0.0 110.656 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.744 HD21 HH21 ' C' ' 41' ' ' ARG . 42.3 t30 -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.919 -1.113 . . . . 0.0 109.624 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.6 -39.93 89.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.042 -1.036 . . . . 0.0 109.155 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.09 -41.22 92.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 0.0 109.803 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.22 -41.21 92.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.876 -1.14 . . . . 0.0 108.52 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.744 HH21 HD21 ' C' ' 37' ' ' ASN . 87.3 mtt180 -66.01 -40.01 90.75 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.59 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.45 -0.781 . . . . 0.0 109.343 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -59.91 -40.05 87.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.997 -1.064 . . . . 0.0 109.148 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.88 82.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 109.553 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.72 -41.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 0.0 111.057 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.31 -40.04 94.99 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.539 -1.351 . . . . 0.0 108.553 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.0 -45.24 93.39 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 118.952 -1.099 . . . . 0.0 108.205 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.551 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.7 m-85 -62.69 -40.06 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.603 178.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.58 -39.31 83.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.923 -1.111 . . . . 0.0 108.913 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.816 -1.178 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.97 -39.4 85.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.162 -0.961 . . . . 0.0 109.115 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 2.1 mp0 -59.71 -39.91 86.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.07 -1.019 . . . . 0.0 109.148 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.92 79.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.766 -1.209 . . . . 0.0 108.238 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.125 179.718 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.657 ' ND2' ' NE2' ' B' ' 52' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.19 127.9 40.3 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p -80.01 110.35 15.31 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.836 -1.165 . . . . 0.0 107.951 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.94 136.04 37.13 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.68 0.752 . . . . 0.0 109.791 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.623 HG23 ' O ' ' C' ' 78' ' ' THR . 9.1 t -91.59 116.03 65.66 Favored Pre-proline 0 N--CA 1.49 1.568 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -89.76 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.361 1.374 . . . . 0.0 114.216 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.41 -42.33 2.35 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.722 ' HE1' ' ND2' ' C' ' 82' ' ' ASN . 4.1 p90 -59.71 -48.73 80.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.36 -1.462 . . . . 0.0 113.045 -175.188 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.722 ' ND2' ' HE1' ' C' ' 81' ' ' TRP . 84.0 m-20 -73.36 -45.79 52.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 119.833 -1.792 . . . . 0.0 110.598 -179.304 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.1 -49.95 75.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.94 -1.1 . . . . 0.0 110.884 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.26 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.671 -1.268 . . . . 0.0 109.753 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 81' ' ' TRP . 75.6 p -70.11 -39.92 75.2 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.02 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -69.1 -40.0 78.63 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.514 -178.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.36 -42.36 95.63 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.429 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.98 -41.3 97.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.317 -0.865 . . . . 0.0 108.881 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.5 t90 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.544 -0.723 . . . . 0.0 109.487 179.541 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.06 96.52 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.365 -0.834 . . . . 0.0 109.465 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.42 -41.97 99.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.208 -0.932 . . . . 0.0 110.37 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.88 -43.53 94.69 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.779 -1.201 . . . . 0.0 108.611 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.85 -42.11 91.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 61.8 t0 -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.504 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.99 -39.98 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.78 -1.2 . . . . 0.0 109.009 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.58 -43.78 92.76 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 109.684 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.37 -44.03 95.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.859 -1.15 . . . . 0.0 109.52 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.04 -40.24 92.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.3 -0.875 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.98 -40.02 94.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.854 . . . . 0.0 109.86 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.15 -40.14 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.0 -1.062 . . . . 0.0 109.684 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.0 p -62.48 -40.28 96.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.968 -1.083 . . . . 0.0 109.313 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.04 83.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.231 -0.918 . . . . 0.0 109.71 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.63 -39.97 94.64 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.13 -0.981 . . . . 0.0 109.741 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.8 -41.88 91.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.044 -1.035 . . . . 0.0 108.989 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -45.9 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.635 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.1 -39.98 90.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.258 -0.901 . . . . 0.0 109.017 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.96 97.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.297 -0.877 . . . . 0.0 109.354 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.02 -49.91 75.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.13 -50.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.13 -0.981 . . . . 0.0 109.012 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 9' ' ' GLY . 63.4 tt0 -60.75 -40.13 91.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.465 -0.772 . . . . 0.0 110.024 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.96 -45.96 90.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 109.858 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.23 -40.05 90.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.98 -1.075 . . . . 0.0 109.529 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -65.68 -40.09 91.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.084 -1.01 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.41 -41.78 98.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.794 -1.192 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.942 . . . . 0.0 109.318 179.821 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -66.18 -39.61 89.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.427 -0.796 . . . . 0.0 109.037 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.93 -42.38 93.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.139 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.515 ' N ' HG23 ' A' ' 5' ' ' THR . 59.8 tp -60.09 -44.53 94.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 108.844 179.142 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.09 -39.77 87.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.554 -0.716 . . . . 0.0 109.683 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.02 87.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.044 -1.035 . . . . 0.0 108.592 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.2 -47.02 55.42 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.06 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -1.1 . . . . 0.0 109.911 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.19 -41.44 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.35 -40.87 92.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.491 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.6 tp-100 -60.11 -40.75 90.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.272 -0.893 . . . . 0.0 109.666 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.07 -41.59 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.974 . . . . 0.0 109.285 -179.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.21 -40.9 95.69 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -0.976 . . . . 0.0 109.439 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.0 mt-30 -64.14 -40.06 95.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.51 -41.56 98.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.19 -0.944 . . . . 0.0 109.499 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 HD23 ' A' ' 104' ' ' LEU . 55.5 tp -60.85 -42.09 97.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.263 -0.898 . . . . 0.0 109.102 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.0 -46.98 87.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.156 -0.965 . . . . 0.0 110.105 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.8 t -59.99 -40.09 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.608 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.0 -43.85 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.197 -0.94 . . . . 0.0 108.835 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.17 -41.23 92.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.564 -0.71 . . . . 0.0 109.281 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HE ' HD11 ' B' ' 103' ' ' LEU . 52.4 mtt-85 -60.64 -39.95 90.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.125 -0.984 . . . . 0.0 108.6 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.95 -47.33 86.24 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.094 -1.004 . . . . 0.0 109.313 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.01 -41.27 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.016 -1.053 . . . . 0.0 109.675 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.27 -40.01 94.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.177 -0.952 . . . . 0.0 109.244 179.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.04 -40.29 88.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 108.934 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.44 -40.45 91.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.453 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.1 mt -63.45 -40.69 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.967 -1.083 . . . . 0.0 109.325 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -64.05 -40.05 95.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.105 -0.997 . . . . 0.0 109.185 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 54.4 t -60.53 -40.03 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.393 -0.817 . . . . 0.0 109.278 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.11 -40.75 90.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.226 -0.921 . . . . 0.0 109.639 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.7 97.0 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.85 -1.382 . . . . 0.0 109.324 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.3 mttp -61.36 -39.95 92.49 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.421 178.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -59.93 -40.46 88.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.433 -0.792 . . . . 0.0 109.697 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 38' ' ' LEU . 87.8 mt -60.09 -40.06 88.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.934 -1.104 . . . . 0.0 108.782 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.99 -39.52 85.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.431 -0.793 . . . . 0.0 108.862 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.7 p -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.746 -1.221 . . . . 0.0 108.897 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.6 mtt-85 -62.86 -40.04 96.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.684 -1.26 . . . . 0.0 108.397 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.64 -41.11 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.626 -0.671 . . . . 0.0 109.726 -179.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -59.93 -40.03 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.898 -1.126 . . . . 0.0 109.334 -179.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.84 85.23 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.116 -0.99 . . . . 0.0 108.708 179.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.68 -39.94 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.752 -0.592 . . . . 0.0 109.805 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 8.0 mm-40 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 108.691 -179.047 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.33 -45.41 94.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.485 -0.759 . . . . 0.0 109.567 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.1 m-85 -64.73 -39.99 94.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 HE22 ' C' ' 52' ' ' GLN . 83.5 mt -59.95 -39.94 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.952 -1.093 . . . . 0.0 108.924 -179.597 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.142 . . . . 0.0 108.649 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.01 -41.17 91.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.556 -0.715 . . . . 0.0 109.776 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.417 HE22 HD22 ' B' ' 49' ' ' LEU . 25.3 mt-30 -60.89 -39.93 91.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.195 -0.941 . . . . 0.0 109.835 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.5 75.69 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.819 -1.176 . . . . 0.0 107.885 179.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.033 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 8.6 t-20 . . . . . 0 N--CA 1.498 1.971 0 CA-C-O 121.903 0.859 . . . . 0.0 108.885 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -93.29 122.54 35.79 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.447 ' HG ' ' HH ' ' C' ' 48' ' ' TYR . 1.6 m -86.06 101.03 12.59 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.487 0.66 . . . . 0.0 109.561 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 78' ' ' THR . 12.2 t -96.51 112.26 59.54 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -91.05 -48.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.214 0 C-N-CA 121.455 1.436 . . . . 0.0 114.124 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.33 -44.94 2.24 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.1 p90 -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.155 -1.591 . . . . 0.0 112.379 -175.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 14.0 t-20 -79.26 -37.8 37.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.079 -1.638 . . . . 0.0 109.709 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.97 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.193 -0.942 . . . . 0.0 109.777 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.98 -40.93 97.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.897 -1.127 . . . . 0.0 109.364 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 81' ' ' TRP . 82.1 p -67.52 -40.06 85.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.157 -0.964 . . . . 0.0 109.445 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 54.1 t-105 -63.81 -39.99 95.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.025 . . . . 0.0 109.316 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.22 -40.48 90.29 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.046 -1.033 . . . . 0.0 109.132 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.54 -40.76 92.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.026 -1.046 . . . . 0.0 108.759 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.438 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.2 t90 -60.04 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.199 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.39 -42.35 98.58 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 179.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' A' ' 91' ' ' ARG . 42.6 mtt-85 -61.73 -40.19 94.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.22 -42.83 99.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.738 -1.226 . . . . 0.0 109.575 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.16 -40.48 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.041 -1.037 . . . . 0.0 108.719 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -60.72 -43.16 98.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.477 -0.764 . . . . 0.0 110.532 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.61 -39.96 80.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.809 -1.182 . . . . 0.0 109.725 -179.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.03 -40.27 82.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.162 -0.961 . . . . 0.0 108.867 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.04 -48.32 82.2 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.355 -0.841 . . . . 0.0 109.17 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.08 -42.23 94.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.348 -0.845 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -63.28 -40.04 96.28 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.35 -0.844 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.39 -40.43 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -61.43 -41.34 97.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.05 75.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 109.446 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' C' ' 23' ' ' ARG . 92.1 mt -61.12 -42.9 99.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.042 -1.036 . . . . 0.0 109.463 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 18' ' ' LEU . 85.1 mt -60.06 -47.38 86.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.175 -0.953 . . . . 0.0 108.642 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -49.59 77.08 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.086 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.83 -41.9 96.67 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.33 97.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 110.074 -179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.16 -43.85 98.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 109.53 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.13 -50.01 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.299 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.03 94.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 0.0 110.057 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.145 -0.972 . . . . 0.0 109.762 -179.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.87 -40.0 95.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.08 -1.013 . . . . 0.0 109.589 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.44 -40.07 95.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.204 -0.935 . . . . 0.0 109.795 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.28 -42.8 99.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.487 1.421 0 O-C-N 121.053 -1.03 . . . . 0.0 108.405 179.125 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.28 -39.63 89.54 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.43 -0.794 . . . . 0.0 109.048 179.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.0 t -60.07 -42.29 94.23 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 109.142 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' B' ' 5' ' ' THR . 59.3 tp -60.04 -44.69 94.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 108.79 179.123 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.373 -0.829 . . . . 0.0 109.602 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.0 85.92 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.022 -1.049 . . . . 0.0 108.71 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.83 55.31 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -49.93 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -1.075 . . . . 0.0 109.942 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.36 -41.73 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 109.503 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.08 -40.96 91.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.204 -0.935 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.507 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.6 tp-100 -60.06 -40.52 89.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 0.0 109.769 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 109.41 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.26 -40.5 94.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.414 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.507 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 26.9 mt-30 -64.51 -39.98 94.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.59 -41.6 98.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 0.0 109.474 179.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.466 HD11 HD23 ' B' ' 104' ' ' LEU . 55.5 tp -60.66 -42.09 96.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.368 -0.833 . . . . 0.0 109.2 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.16 -46.78 88.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.061 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -60.11 -40.1 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.077 -1.015 . . . . 0.0 109.478 -179.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.04 -44.05 93.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.218 -0.926 . . . . 0.0 108.937 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -41.22 91.87 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.539 -0.726 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.44 ' HE ' HD11 ' C' ' 103' ' ' LEU . 51.7 mtt-85 -60.61 -40.02 90.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 109.941 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.651 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.89 -47.44 85.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.185 -0.947 . . . . 0.0 109.229 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.89 -41.25 99.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.014 -1.054 . . . . 0.0 109.738 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.1 tp -62.33 -40.02 95.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 109.304 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.02 -40.52 89.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.154 -0.967 . . . . 0.0 109.111 179.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.1 -40.92 91.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.9 mt -63.01 -40.92 99.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.895 -1.128 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.1 p -63.93 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.527 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 54.4 t -60.63 -40.01 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.307 -0.871 . . . . 0.0 109.295 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -60.02 -40.79 90.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.488 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.65 97.04 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.563 -1.303 . . . . 0.0 109.969 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.09 -49.96 75.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.852 -1.381 . . . . 0.0 109.234 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.527 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.4 mttp -61.33 -40.01 92.65 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.26 -0.9 . . . . 0.0 109.523 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -60.0 -40.44 89.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.42 -0.8 . . . . 0.0 109.68 -178.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.922 -1.111 . . . . 0.0 108.875 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.04 -39.47 86.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 45.1 p -59.93 -41.61 92.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.69 -1.256 . . . . 0.0 108.906 -179.339 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.578 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.5 mtt-85 -63.07 -39.97 96.29 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.457 -1.297 . . . . 0.0 108.34 178.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.59 -41.07 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.52 -0.737 . . . . 0.0 109.814 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.0 p -59.99 -39.97 87.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.97 -1.081 . . . . 0.0 109.27 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.61 85.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 108.745 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.84 -39.98 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.635 -0.665 . . . . 0.0 109.702 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.486 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 8.0 mm-40 -59.97 -40.07 87.84 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.155 -0.966 . . . . 0.0 108.654 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.41 -45.25 95.11 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.696 -0.801 . . . . 0.0 109.548 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.7 m-85 -64.72 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.417 HD22 HE22 ' A' ' 52' ' ' GLN . 83.6 mt -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.975 -1.078 . . . . 0.0 108.839 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -62.84 -39.99 96.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.815 -1.178 . . . . 0.0 108.665 178.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.0 -41.05 91.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.507 -0.746 . . . . 0.0 109.85 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.413 ' CD ' ' OE1' ' A' ' 52' ' ' GLN . 25.4 mt-30 -60.92 -39.95 91.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.773 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.41 75.32 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 120.838 -1.164 . . . . 0.0 107.877 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 C--N 1.304 -1.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.015 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 8.8 t-20 . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 121.855 0.836 . . . . 0.0 108.798 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -93.41 122.73 36.13 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -86.32 100.85 12.58 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 mt -84.61 133.44 34.42 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.498 0.666 . . . . 0.0 109.539 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' THR . 12.4 t -96.25 112.48 59.9 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -91.07 -49.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.52 1.48 . . . . 0.0 114.104 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -122.03 -45.01 2.27 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.663 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.1 p90 -59.82 -52.89 63.54 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.162 -1.586 . . . . 0.0 112.389 -175.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.663 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 14.2 t-20 -79.18 -37.73 37.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 119.933 -1.729 . . . . 0.0 109.649 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' B' ' 78' ' ' THR . 17.4 m120 -60.02 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.12 -0.988 . . . . 0.0 109.795 -179.514 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.14 -41.0 97.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.921 -1.112 . . . . 0.0 109.281 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.616 HG23 ' O ' ' B' ' 81' ' ' TRP . 82.6 p -67.55 -39.93 84.96 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.179 -0.951 . . . . 0.0 109.385 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 54.2 t-105 -63.74 -40.0 95.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.97 -1.081 . . . . 0.0 109.35 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.23 -40.57 90.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.955 -1.09 . . . . 0.0 108.994 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -40.95 92.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.76 178.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.453 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 56.5 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.367 -0.833 . . . . 0.0 109.185 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.43 -42.2 98.38 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.211 -0.931 . . . . 0.0 109.767 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' B' ' 91' ' ' ARG . 43.1 mtt-85 -61.62 -40.68 95.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 110.616 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.83 -42.75 98.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.682 -1.261 . . . . 0.0 109.672 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.49 -40.39 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.04 -1.037 . . . . 0.0 108.66 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.63 -43.24 97.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.51 -0.744 . . . . 0.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.46 -40.1 81.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.864 -1.147 . . . . 0.0 109.637 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -40.0 83.04 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.92 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.01 -48.52 81.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.286 -0.884 . . . . 0.0 109.111 179.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.03 -42.21 93.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.175 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -63.56 -40.05 95.98 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.222 -0.924 . . . . 0.0 109.461 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.1 -40.54 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 109.202 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 -41.1 96.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.082 -1.011 . . . . 0.0 109.666 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.57 77.12 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.121 -0.987 . . . . 0.0 109.584 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.478 HD11 ' HE ' ' A' ' 23' ' ' ARG . 90.1 mt -61.68 -42.73 99.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.466 HD23 HD11 ' B' ' 18' ' ' LEU . 85.3 mt -60.12 -47.43 85.93 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.557 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -49.49 77.46 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.418 -0.801 . . . . 0.0 109.078 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.75 -41.81 96.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.507 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.22 99.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 0.0 110.065 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.14 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.983 -1.073 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.314 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.24 -40.06 93.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.03 -49.63 76.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 0.0 109.813 -179.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.01 -40.12 95.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.006 -1.059 . . . . 0.0 109.561 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.33 -40.07 95.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.898 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.39 -42.59 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.035 -1.04 . . . . 0.0 109.95 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 108.417 179.129 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.561 0.696 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.13 -39.86 90.19 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.0 t -59.88 -42.43 93.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.29 -0.881 . . . . 0.0 109.113 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' C' ' 5' ' ' THR . 59.5 tp -60.03 -44.6 94.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.713 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.05 -39.85 87.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.816 . . . . 0.0 109.631 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.987 -1.07 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.23 -46.98 55.39 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 178.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.356 -1.085 . . . . 0.0 109.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.35 -41.62 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.413 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.6 tp-100 -60.06 -40.71 90.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.03 -41.73 92.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.091 -1.005 . . . . 0.0 109.248 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.09 -40.94 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.448 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.502 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.0 mt-30 -63.98 -40.26 95.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.641 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -63.45 -41.46 98.65 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.189 -0.945 . . . . 0.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.479 HD11 HD23 ' C' ' 104' ' ' LEU . 55.1 tp -60.79 -42.05 96.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.154 -0.966 . . . . 0.0 109.315 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.97 -47.04 87.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 0.0 110.037 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.0 -40.12 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 109.65 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -43.96 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.279 -0.888 . . . . 0.0 108.803 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.06 -41.29 92.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.596 -0.69 . . . . 0.0 109.234 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' A' ' 103' ' ' LEU . 52.5 mtt-85 -60.59 -39.99 90.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 109.915 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.05 -39.87 87.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.118 -0.989 . . . . 0.0 108.623 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -60.07 -46.84 88.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.354 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.9 98.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.179 -0.951 . . . . 0.0 109.27 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.01 -40.42 89.19 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.029 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.438 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -63.11 -41.09 99.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -63.91 -40.01 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.165 -0.96 . . . . 0.0 109.252 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . 0.535 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 54.3 t -60.35 -40.15 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.326 -0.859 . . . . 0.0 109.294 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.92 -40.84 90.22 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.237 -0.915 . . . . 0.0 109.646 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.69 96.87 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.587 -1.292 . . . . 0.0 109.954 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.03 -50.06 75.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.971 -1.311 . . . . 0.0 109.269 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . 0.535 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.48 -40.11 93.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.807 . . . . 0.0 109.415 178.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -59.98 -40.27 88.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.655 -178.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' C' ' 38' ' ' LEU . 88.5 mt -60.19 -40.07 88.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.91 -1.119 . . . . 0.0 108.779 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.95 -39.55 85.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.33 -0.856 . . . . 0.0 108.893 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 -41.65 92.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.761 -1.212 . . . . 0.0 108.864 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.609 HH22 ' CG ' ' A' ' 82' ' ' ASN . 47.2 mtt-85 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.59 -1.319 . . . . 0.0 108.474 178.193 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.66 -41.16 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 -179.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.1 p -59.9 -40.07 87.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.876 -1.14 . . . . 0.0 109.218 -179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.66 85.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.84 -39.99 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 0.0 109.782 179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.481 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 8.0 mm-40 -60.05 -40.04 88.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.169 -0.957 . . . . 0.0 108.604 -179.097 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.34 -45.35 94.78 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.415 -0.803 . . . . 0.0 109.595 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.403 HD22 HE22 ' B' ' 52' ' ' GLN . 83.7 mt -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.911 -1.118 . . . . 0.0 108.844 -179.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.59 -40.05 95.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.809 -1.182 . . . . 0.0 108.803 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.03 -41.1 91.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.557 -0.714 . . . . 0.0 109.82 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.407 ' OE1' ' CD ' ' A' ' 52' ' ' GLN . 25.5 mt-30 -60.9 -40.05 91.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -0.972 . . . . 0.0 109.746 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.51 75.31 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.875 -1.141 . . . . 0.0 107.968 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.107 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 8.8 t-20 . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 121.846 0.831 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . 0.481 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -93.35 122.51 35.83 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -86.15 101.1 12.69 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.69 133.53 34.38 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.48 0.657 . . . . 0.0 109.5 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.681 HG23 ' O ' ' C' ' 78' ' ' THR . 12.2 t -96.47 112.26 59.48 Favored Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.97 -48.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.421 1.414 . . . . 0.0 114.217 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.35 -44.77 2.24 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.1 p90 -60.01 -52.96 63.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.153 -1.592 . . . . 0.0 112.333 -175.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 14.8 t-20 -79.05 -37.84 37.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 119.973 -1.705 . . . . 0.0 109.745 -179.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' C' ' 78' ' ' THR . 17.4 m120 -59.91 -48.44 81.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.791 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.93 -41.0 97.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.106 -0.996 . . . . 0.0 109.331 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.63 HG23 ' O ' ' C' ' 81' ' ' TRP . 82.6 p -67.6 -40.01 84.77 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -63.79 -40.01 95.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.988 -1.07 . . . . 0.0 109.316 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.09 -40.8 90.85 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.921 -1.112 . . . . 0.0 109.002 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.24 -40.79 91.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 178.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.6 t90 -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.586 -0.696 . . . . 0.0 109.287 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.37 -42.47 98.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' C' ' 91' ' ' ARG . 42.2 mtt-85 -61.46 -40.55 94.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.908 . . . . 0.0 110.687 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -42.68 98.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.582 -1.324 . . . . 0.0 109.614 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -40.66 86.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.068 -1.02 . . . . 0.0 108.61 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.53 -43.23 97.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.4 -0.812 . . . . 0.0 110.635 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.5 -40.05 81.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.766 -1.209 . . . . 0.0 109.741 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.03 -40.22 82.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.13 -0.981 . . . . 0.0 108.868 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.09 -48.31 82.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 109.205 179.267 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.23 -39.99 96.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.412 -0.805 . . . . 0.0 109.371 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -68.62 -40.23 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 109.24 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -61.72 -41.07 97.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.053 -1.029 . . . . 0.0 109.616 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.94 75.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.186 -0.946 . . . . 0.0 109.503 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.44 HD11 ' HE ' ' B' ' 23' ' ' ARG . 90.4 mt -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.193 -0.942 . . . . 0.0 109.495 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.479 HD23 HD11 ' C' ' 18' ' ' LEU . 85.5 mt -60.08 -47.38 86.14 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.079 -1.013 . . . . 0.0 108.631 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -49.89 75.9 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 108.998 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -42.53 95.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 109.38 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.84 95.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 110.152 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.74 -44.12 97.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 109.46 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.98 -50.0 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.19 -0.944 . . . . 0.0 109.345 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.06 94.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.0 110.031 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -60.04 -49.71 76.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.226 -0.921 . . . . 0.0 109.611 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.13 -39.99 95.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.537 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.55 -39.99 95.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 109.769 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.33 -42.51 99.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.995 -1.066 . . . . 0.0 110.056 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.098 -1.002 . . . . 0.0 108.304 179.115 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -62.86 -40.41 97.39 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.659 -0.651 . . . . 0.0 109.558 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.7 t -60.48 -42.54 96.49 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.158 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.514 ' N ' HG23 ' A' ' 5' ' ' THR . 59.1 tp -62.86 -42.52 99.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.337 -0.852 . . . . 0.0 109.141 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.05 -39.61 90.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.392 -0.818 . . . . 0.0 109.658 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.43 88.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 0.0 108.642 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.32 -46.29 64.81 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -48.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.466 -1.02 . . . . 0.0 109.478 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.05 -45.86 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.93 -39.94 91.35 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.022 -1.049 . . . . 0.0 109.553 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.78 -41.13 90.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -0.963 . . . . 0.0 109.604 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.914 -1.116 . . . . 0.0 109.436 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.03 -42.92 99.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.136 -0.977 . . . . 0.0 108.775 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.74 -42.03 98.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.302 -0.874 . . . . 0.0 109.256 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.93 -40.83 95.66 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.118 -0.988 . . . . 0.0 109.125 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -43.78 94.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -47.94 83.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.278 -0.889 . . . . 0.0 109.875 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG13 HG23 ' B' ' 100' ' ' ILE . 78.3 t -60.5 -41.1 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.175 -0.953 . . . . 0.0 109.559 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -45.49 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.248 -0.908 . . . . 0.0 109.018 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.66 -42.21 96.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.673 -0.642 . . . . 0.0 109.669 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' A' ' 23' ' ' ARG . 48.9 mtt-85 -60.55 -39.95 89.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.632 -0.668 . . . . 0.0 109.774 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -59.79 -39.82 86.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 108.72 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.09 -48.18 82.79 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 108.822 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.66 -41.18 98.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD23 HD13 ' B' ' 28' ' ' LEU . 22.9 tp -62.01 -40.15 94.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 108.989 179.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 HD23 ' C' ' 27' ' ' LEU . 19.3 mt -60.31 -40.21 89.76 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.58 -0.7 . . . . 0.0 109.36 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.52 -40.21 90.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.2 mt -62.19 -41.2 98.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.159 -0.963 . . . . 0.0 109.33 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.6 p -64.35 -40.06 95.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.275 -0.891 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.2 -40.5 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.0 108.948 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.05 -41.44 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.173 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -47.53 90.53 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -60.07 -49.38 77.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.265 . . . . 0.0 109.498 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -60.94 -40.05 91.81 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.352 -0.843 . . . . 0.0 109.763 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.687 HD21 ' NH2' ' A' ' 41' ' ' ARG . 60.4 t-20 -60.01 -40.36 88.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.635 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.09 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.96 -40.23 88.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 109.575 -179.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.2 p -59.98 -40.45 89.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.739 -1.225 . . . . 0.0 108.798 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.687 ' NH2' HD21 ' A' ' 37' ' ' ASN . 29.7 mtt-85 -63.98 -40.0 95.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 108.485 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.09 -41.65 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.083 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -61.14 -40.03 92.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.991 -1.068 . . . . 0.0 110.017 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.31 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.085 -1.634 . . . . 0.0 108.999 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.02 -39.87 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.597 -0.689 . . . . 0.0 109.86 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -39.72 87.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 0.0 108.896 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.34 -41.29 93.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.113 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 46.6 m-85 -67.17 -38.79 86.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.861 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.92 -40.0 87.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.824 -1.172 . . . . 0.0 108.701 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -60.2 -39.77 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.692 -1.255 . . . . 0.0 108.354 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 57.9 t0 -60.08 -39.89 87.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.297 -0.877 . . . . 0.0 108.786 178.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.616 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.94 -39.84 86.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.28 -0.888 . . . . 0.0 108.864 -179.45 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.616 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -59.8 -36.43 76.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.999 -1.063 . . . . 0.0 108.672 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.262 -0.899 . . . . 0.0 109.562 -179.618 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 43.0 t30 . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.76 125.49 34.46 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 t -80.09 112.37 17.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.931 -1.106 . . . . 0.0 108.306 -178.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.82 135.79 37.16 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.794 0.807 . . . . 0.0 109.955 -178.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 78' ' ' THR . 7.2 t -90.84 113.87 59.45 Favored Pre-proline 0 C--N 1.299 -1.606 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -91.88 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.511 1.474 . . . . 0.0 114.353 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -121.8 -43.78 2.35 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.106 -0.996 . . . . 0.0 113.336 -177.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.88 -48.08 83.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.684 -1.26 . . . . 0.0 112.78 -175.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.8 t30 -72.59 -46.82 52.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.091 -1.63 . . . . 0.0 110.177 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.0 -50.16 74.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 110.344 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.73 -45.63 93.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.917 -1.114 . . . . 0.0 109.362 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 81' ' ' TRP . 48.4 p -68.43 -40.02 81.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.087 -1.008 . . . . 0.0 109.767 -179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.5 -40.11 92.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.974 -1.079 . . . . 0.0 109.265 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.1 -41.41 92.48 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.546 -1.346 . . . . 0.0 108.505 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.17 -43.18 96.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.3 t90 -60.29 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.59 -41.6 98.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -63.43 -40.67 97.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.078 -1.014 . . . . 0.0 110.379 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.34 -42.78 96.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.667 -1.27 . . . . 0.0 108.618 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.43 -40.91 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.388 -0.82 . . . . 0.0 109.133 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.91 -48.16 82.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.043 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -60.29 -45.36 93.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.924 -1.11 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.251 -0.906 . . . . 0.0 108.853 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 101' ' ' THR . 86.2 tt0 -60.12 -47.63 85.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.303 -0.873 . . . . 0.0 109.423 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.62 -44.86 95.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.749 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.465 ' OD1' ' CZ ' ' C' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -40.97 96.75 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.591 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 HG13 ' C' ' 20' ' ' VAL . 83.0 mt -65.17 -40.91 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.977 -1.077 . . . . 0.0 109.418 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 97' ' ' GLU . 40.8 p -62.4 -40.71 97.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.091 -1.006 . . . . 0.0 109.141 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -48.02 82.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.455 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.05 -42.61 99.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.231 -0.918 . . . . 0.0 109.41 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.13 -46.1 91.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.867 . . . . 0.0 109.064 179.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.45 -49.44 77.57 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 109.199 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.58 -41.36 94.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.4 96.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.952 -1.093 . . . . 0.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.23 -47.45 85.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.18 -0.95 . . . . 0.0 109.243 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -49.7 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.237 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -65.59 -40.1 92.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.378 -0.826 . . . . 0.0 109.357 -179.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.07 -48.23 82.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.372 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.99 -41.34 96.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.415 -0.803 . . . . 0.0 109.262 179.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.59 -40.74 97.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.021 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.32 -42.71 87.84 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 109.48 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 C--N 1.298 -1.645 0 O-C-N 121.051 -1.031 . . . . 0.0 108.981 179.412 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.773 0.797 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -63.23 -40.22 96.83 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.5 -0.75 . . . . 0.0 109.352 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.3 t -60.35 -42.46 95.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.526 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -62.73 -42.79 99.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.481 -0.762 . . . . 0.0 109.014 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.06 -39.84 91.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.629 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.14 86.07 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.878 -1.139 . . . . 0.0 108.708 -179.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -46.58 61.22 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.02 -49.14 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.466 -1.02 . . . . 0.0 109.479 179.376 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.36 -45.43 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.957 -1.089 . . . . 0.0 109.585 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.57 -39.81 89.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.26 -41.1 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.246 -0.909 . . . . 0.0 109.498 -178.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -62.08 -40.74 96.85 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.932 -1.105 . . . . 0.0 109.576 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -61.02 -42.82 99.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 108.714 179.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -62.11 -42.39 99.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.395 -0.816 . . . . 0.0 109.137 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.41 -40.84 96.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.991 -1.068 . . . . 0.0 109.157 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.34 -43.51 96.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.812 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.33 -47.93 83.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.423 HG13 HG23 ' C' ' 100' ' ' ILE . 77.0 t -60.29 -41.29 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.947 . . . . 0.0 109.395 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.15 -45.93 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.33 -0.856 . . . . 0.0 109.172 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.24 -42.56 95.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.641 -0.662 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.45 ' CZ ' ' OD1' ' C' ' 99' ' ' ASN . 49.3 mtt-85 -60.45 -39.46 87.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.512 -0.743 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -40.05 87.81 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.81 -48.2 82.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.092 -1.005 . . . . 0.0 108.856 179.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.5 -41.13 98.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.162 -0.961 . . . . 0.0 109.69 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.435 HD23 HD13 ' C' ' 28' ' ' LEU . 23.0 tp -62.28 -39.96 94.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.053 179.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.41 HD13 HD23 ' A' ' 27' ' ' LEU . 19.5 mt -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.36 90.56 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.202 -0.936 . . . . 0.0 109.2 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -62.19 -41.12 98.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.959 -1.088 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.7 p -64.45 -40.02 94.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.431 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.98 -40.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.0 109.007 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.2 -40.97 91.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.174 -0.954 . . . . 0.0 109.933 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.38 91.24 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.427 -1.368 . . . . 0.0 109.711 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.07 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.876 -1.367 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.3 -39.78 88.14 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.334 -0.854 . . . . 0.0 109.607 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.679 HD21 ' NH2' ' B' ' 41' ' ' ARG . 62.0 t-20 -60.31 -39.99 88.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.087 -1.008 . . . . 0.0 109.791 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 38' ' ' LEU . 86.2 mt -60.08 -39.94 87.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.874 -1.141 . . . . 0.0 109.071 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.07 -40.35 89.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.529 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 59.5 p -60.06 -40.28 88.93 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.744 -1.223 . . . . 0.0 108.814 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.679 ' NH2' HD21 ' B' ' 37' ' ' ASN . 29.4 mtt-85 -63.96 -40.16 95.79 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.89 -42.16 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.455 -0.778 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.2 p -60.48 -40.22 90.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.972 . . . . 0.0 109.976 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.62 82.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.241 -1.537 . . . . 0.0 109.122 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.98 -39.9 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.52 -0.738 . . . . 0.0 109.895 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -39.56 87.57 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.234 -0.916 . . . . 0.0 108.73 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.087 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -66.44 -39.17 88.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.98 -39.88 87.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.845 -1.159 . . . . 0.0 108.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.94 -39.87 87.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.617 -1.302 . . . . 0.0 108.136 178.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 51' ' ' ASP . 56.4 t0 -60.15 -39.84 87.77 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.76 -39.76 85.89 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.381 -0.824 . . . . 0.0 108.984 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.618 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.94 -36.74 77.7 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.935 -1.103 . . . . 0.0 108.759 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.356 -0.84 . . . . 0.0 109.437 -179.654 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 43.8 t30 . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.59 125.32 34.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -79.97 112.37 17.21 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.322 -178.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.3 mt -78.73 135.81 37.24 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.551 0.691 . . . . 0.0 109.82 -178.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.599 ' O ' HG23 ' B' ' 78' ' ' THR . 7.5 t -90.98 113.72 59.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -91.82 -48.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.566 1.511 . . . . 0.0 114.38 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.06 -43.69 2.32 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.208 -0.932 . . . . 0.0 113.499 -176.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.643 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.89 -47.94 83.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.57 -1.331 . . . . 0.0 112.678 -176.003 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.643 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 62.2 t30 -72.85 -46.92 50.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.124 -1.61 . . . . 0.0 110.126 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.87 -50.08 75.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 110.395 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.08 -44.9 96.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.916 -1.115 . . . . 0.0 109.46 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 81' ' ' TRP . 53.9 p -68.91 -39.95 79.37 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.328 -0.858 . . . . 0.0 109.598 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -65.77 -39.98 91.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.874 -1.141 . . . . 0.0 109.254 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -60.03 -41.35 92.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.689 -1.257 . . . . 0.0 108.442 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.34 -42.83 96.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.9 t90 -60.47 -49.21 78.47 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 179.038 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.67 -41.08 98.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.906 . . . . 0.0 109.937 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -63.66 -40.24 96.36 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.171 -0.956 . . . . 0.0 110.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.76 -42.57 97.69 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.514 -1.275 . . . . 0.0 108.786 179.215 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.58 -41.16 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.27 -0.894 . . . . 0.0 108.92 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.8 t0 -60.01 -47.61 85.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.503 -0.748 . . . . 0.0 110.028 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.71 -45.25 94.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.776 -1.202 . . . . 0.0 109.613 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.46 -42.79 95.74 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.069 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 101' ' ' THR . 86.4 tt0 -60.6 -48.15 83.07 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.301 -0.874 . . . . 0.0 109.238 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.23 -44.38 95.24 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.376 -0.827 . . . . 0.0 109.623 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.478 HD22 ' C ' ' B' ' 99' ' ' ASN . 0.3 OUTLIER -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.303 -0.873 . . . . 0.0 109.47 -179.489 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 20' ' ' VAL . 83.1 mt -65.18 -41.24 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.414 HG23 ' O ' ' B' ' 97' ' ' GLU . 41.0 p -62.24 -40.86 97.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.928 -1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.91 83.43 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.4 -0.813 . . . . 0.0 109.527 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.79 -43.19 99.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.214 -0.929 . . . . 0.0 109.099 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.47 -46.53 89.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.96 -49.65 76.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 0.0 109.399 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.79 -40.97 94.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.71 98.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.005 -1.06 . . . . 0.0 109.358 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.18 -47.47 85.82 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.091 -1.006 . . . . 0.0 109.116 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.1 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.074 -1.016 . . . . 0.0 109.286 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -65.24 -39.96 93.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.57 -0.706 . . . . 0.0 109.842 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -59.89 -48.41 81.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.403 -0.81 . . . . 0.0 108.965 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.02 -40.97 95.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.119 -0.988 . . . . 0.0 109.492 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.44 -40.81 97.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.32 -42.96 87.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.0 109.809 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 16.0 ttt . . . . . 0 C--N 1.302 -1.488 0 O-C-N 121.276 -0.89 . . . . 0.0 108.797 179.114 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.06 -40.13 96.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.552 -0.717 . . . . 0.0 109.229 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.515 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.48 -43.07 97.36 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.105 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.515 ' N ' HG23 ' C' ' 5' ' ' THR . 58.9 tp -62.4 -42.86 99.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.299 -0.876 . . . . 0.0 109.105 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.74 -39.96 90.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.72 -46.25 61.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.626 -1.79 . . . . 0.0 108.626 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -49.14 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.583 -0.951 . . . . 0.0 109.555 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.09 -45.62 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.134 -0.979 . . . . 0.0 109.286 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.6 -39.65 88.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.086 . . . . 0.0 109.717 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.13 -41.55 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.395 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.75 -40.89 96.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.927 -1.108 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -61.37 -42.5 98.81 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.035 -1.041 . . . . 0.0 108.7 179.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.13 -41.73 98.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.289 -0.882 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.93 -41.19 95.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.344 -0.847 . . . . 0.0 109.093 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.1 -43.48 95.53 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.24 -48.21 82.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.306 -0.871 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.412 HG13 HG23 ' A' ' 100' ' ' ILE . 77.9 t -60.08 -41.09 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 109.487 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.92 -46.15 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 108.96 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.11 -42.51 94.89 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.526 0.679 . . . . 0.0 109.762 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.465 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 50.5 mtt-85 -60.82 -39.67 89.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.685 -0.635 . . . . 0.0 109.732 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -39.77 86.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.116 -0.99 . . . . 0.0 108.67 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.16 -48.09 83.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 108.835 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.61 -41.19 98.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.747 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.402 HD23 HD13 ' A' ' 28' ' ' LEU . 22.2 tp -62.16 -40.23 95.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 108.685 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.435 HD13 HD23 ' B' ' 27' ' ' LEU . 19.3 mt -60.22 -40.06 88.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.448 -0.782 . . . . 0.0 109.318 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.22 -40.29 89.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.307 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.3 mt -62.31 -41.81 98.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.129 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -63.82 -39.88 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.084 -1.01 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.26 -40.31 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 108.928 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.1 -41.5 92.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 0.0 110.245 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.66 -47.24 91.9 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.38 -49.95 75.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.893 -1.357 . . . . 0.0 109.462 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.429 -0.795 . . . . 0.0 109.585 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.684 HD21 ' NH2' ' C' ' 41' ' ' ARG . 60.0 t-20 -60.19 -40.46 90.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 109.79 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.18 -39.96 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.022 -1.049 . . . . 0.0 109.013 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.93 -40.05 87.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.979 -1.076 . . . . 0.0 109.63 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.1 p -60.1 -40.27 89.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.717 -1.239 . . . . 0.0 108.722 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.684 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.6 mtt-85 -64.08 -39.99 95.27 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.18 -41.47 86.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.333 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.0 p -61.31 -40.05 92.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.917 -1.114 . . . . 0.0 110.057 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.65 81.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.339 -1.476 . . . . 0.0 108.891 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.6 mt -63.65 -40.1 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 109.86 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -39.8 87.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.097 -1.002 . . . . 0.0 108.841 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.05 -41.65 92.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.344 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 47.2 m-85 -66.98 -38.95 87.0 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.367 -0.833 . . . . 0.0 109.695 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.12 -39.9 87.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.89 -1.131 . . . . 0.0 108.497 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.89 -40.01 87.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.563 -1.335 . . . . 0.0 108.378 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -60.12 -39.77 87.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.296 -0.878 . . . . 0.0 108.722 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.53 -40.01 85.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.125 -0.984 . . . . 0.0 109.059 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.96 -36.45 77.14 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.955 -1.091 . . . . 0.0 108.758 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.065 -1.022 . . . . 0.0 109.338 -179.8 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 42.9 t30 . . . . . 0 N--CA 1.5 2.065 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 125.4 34.46 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.5 t -80.02 112.41 17.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.323 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.8 135.95 37.22 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.725 0.774 . . . . 0.0 109.821 -178.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.604 HG23 ' O ' ' C' ' 78' ' ' THR . 7.4 t -91.09 113.65 58.95 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.59 -48.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.81 1.674 . . . . 0.0 114.43 -179.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -121.77 -43.71 2.35 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -59.91 -48.04 83.3 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.432 -1.418 . . . . 0.0 112.752 -175.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.7 t30 -72.4 -46.8 53.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.082 -1.636 . . . . 0.0 110.161 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -60.18 -49.99 75.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.897 -1.127 . . . . 0.0 110.469 -178.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.18 -44.88 96.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.957 -1.089 . . . . 0.0 109.433 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 81' ' ' TRP . 45.5 p -68.83 -40.04 79.65 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.12 -0.987 . . . . 0.0 109.792 -179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -65.38 -39.98 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.976 -1.078 . . . . 0.0 109.41 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.15 -42.14 94.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.814 -1.179 . . . . 0.0 108.297 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -42.91 95.6 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.503 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.2 t90 -60.06 -49.43 77.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.081 178.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.97 -42.78 99.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.709 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -62.11 -40.89 97.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 110.401 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.57 -42.71 97.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.614 -1.304 . . . . 0.0 108.948 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.6 -40.79 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.3 -0.875 . . . . 0.0 108.857 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.1 -48.12 83.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.865 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -60.3 -45.46 93.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.927 -1.108 . . . . 0.0 109.597 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.3 -42.82 96.18 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.942 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.418 ' O ' HG23 ' C' ' 101' ' ' THR . 86.1 tt0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.417 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.1 -44.06 95.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.454 -0.779 . . . . 0.0 109.701 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.455 HD22 ' C ' ' C' ' 99' ' ' ASN . 0.4 OUTLIER -64.92 -40.97 95.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 109.481 -179.644 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.423 HG23 HG13 ' B' ' 20' ' ' VAL . 83.7 mt -65.07 -40.74 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.47 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.8 p -62.81 -40.67 98.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.993 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.69 80.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.296 -0.878 . . . . 0.0 109.446 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -43.56 98.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.14 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -46.57 89.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.117 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.1 -49.77 76.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.806 . . . . 0.0 109.315 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.23 -41.38 92.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.419 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.7 97.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.863 . . . . 0.0 109.622 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.09 -47.61 85.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.353 -0.842 . . . . 0.0 109.243 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.198 -0.939 . . . . 0.0 109.21 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -65.05 -40.15 94.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.39 -0.819 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -60.06 -48.72 80.56 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.32 -0.863 . . . . 0.0 109.123 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.42 -41.16 93.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.066 -1.021 . . . . 0.0 109.506 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.38 -40.84 97.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.979 -1.075 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -66.57 -42.64 86.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.808 -1.182 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.269 -0.895 . . . . 0.0 108.831 179.466 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -65.06 -40.0 94.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.569 -0.707 . . . . 0.0 109.662 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.4 t -60.5 -42.49 96.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.188 -0.945 . . . . 0.0 109.287 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 62.6 tp -64.45 -40.68 96.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.991 -1.068 . . . . 0.0 108.917 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.79 -40.02 93.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.331 -0.856 . . . . 0.0 109.733 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.92 93.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.872 -1.143 . . . . 0.0 109.087 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.26 81.12 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -48.92 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -1.073 . . . . 0.0 109.475 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.95 -43.54 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.111 -0.993 . . . . 0.0 108.998 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -60.15 -39.96 88.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.9 tp-100 -60.29 -41.51 93.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 109.813 -179.339 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.36 -41.84 94.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.008 -1.057 . . . . 0.0 109.472 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.36 -42.61 96.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.344 -0.848 . . . . 0.0 109.141 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.6 mt-30 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.707 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.01 -41.48 99.57 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.407 -0.808 . . . . 0.0 109.25 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD23 ' A' ' 104' ' ' LEU . 60.9 tp -61.42 -40.86 95.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.268 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -48.58 81.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.98 -41.25 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.969 . . . . 0.0 109.644 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.19 -44.91 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.4 -41.69 94.4 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.517 -0.74 . . . . 0.0 109.014 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.575 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 42.7 mtt-85 -61.57 -40.4 94.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.318 -0.864 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.995 -1.066 . . . . 0.0 109.417 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.07 -48.98 79.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 0.0 109.491 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.89 -40.59 96.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.154 -0.966 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.25 -40.7 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.209 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.11 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.414 -0.804 . . . . 0.0 109.195 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -40.22 88.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.87 -1.144 . . . . 0.0 109.516 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.0 mt -60.9 -42.84 98.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.254 179.48 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -61.86 -40.08 94.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.14 -0.975 . . . . 0.0 109.48 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.23 -40.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.777 . . . . 0.0 109.08 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.05 -43.25 95.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.577 -0.702 . . . . 0.0 110.084 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -47.44 91.01 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.363 -1.399 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.97 -49.83 76.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.756 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.63 -39.93 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 109.302 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.607 HD21 ' NH2' ' A' ' 41' ' ' ARG . 44.6 t-20 -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.126 -0.984 . . . . 0.0 109.739 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.28 -39.94 88.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.057 -1.027 . . . . 0.0 109.291 178.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -59.78 -40.01 86.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.203 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 62.6 p -60.22 -40.21 89.34 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.008 -1.057 . . . . 0.0 108.259 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.607 ' NH2' HD21 ' A' ' 37' ' ' ASN . 28.7 mtt-85 -64.51 -40.16 95.12 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.93 -41.31 88.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.549 -0.719 . . . . 0.0 109.361 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 40' ' ' THR . 49.1 p -59.65 -40.28 87.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.888 -1.132 . . . . 0.0 109.317 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.8 96.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.149 -0.969 . . . . 0.0 108.975 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.22 -39.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.732 -0.605 . . . . 0.0 109.634 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.87 -40.27 88.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.259 -0.901 . . . . 0.0 109.185 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.92 -41.78 96.83 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.385 -0.822 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 60.1 m-85 -69.52 -38.32 77.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.146 -0.971 . . . . 0.0 110.063 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.836 -1.165 . . . . 0.0 108.148 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.03 -40.65 90.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.771 -1.206 . . . . 0.0 108.169 178.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 60.2 t0 -60.17 -39.61 87.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.504 -0.747 . . . . 0.0 109.112 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.62 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.11 -40.08 84.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 108.636 -179.407 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.62 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.92 . . . . 0.0 109.21 179.246 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 109.009 -179.081 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 53.4 t30 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 121.513 0.673 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.49 125.14 34.13 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -80.85 109.47 15.45 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.219 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.49 136.43 36.31 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 78' ' ' THR . 8.3 t -87.44 115.93 64.45 Favored Pre-proline 0 N--CA 1.49 1.546 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 21.9 Cg_endo -93.22 -47.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.478 1.452 . . . . 0.0 114.287 -179.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -121.79 -44.63 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.32 -0.862 . . . . 0.0 113.304 -177.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -59.84 -49.59 77.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.524 -1.36 . . . . 0.0 112.672 -175.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.5 t30 -71.64 -40.5 69.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.043 -1.661 . . . . 0.0 110.236 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 79' ' ' PRO . 91.7 m-20 -59.96 -50.24 74.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.033 -1.042 . . . . 0.0 110.715 -178.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.97 -1.081 . . . . 0.0 109.519 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.5 p -69.4 -39.97 77.64 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.185 -0.947 . . . . 0.0 109.629 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -67.09 -40.05 86.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.072 -1.017 . . . . 0.0 108.955 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -41.73 93.3 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.876 -1.14 . . . . 0.0 108.565 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.125 -0.984 . . . . 0.0 108.756 178.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.402 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -60.21 -49.0 79.36 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.17 -42.13 99.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' HG2' HH11 ' A' ' 91' ' ' ARG . 49.9 mtt-85 -61.82 -41.58 97.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.336 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.16 -44.28 95.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.71 -40.45 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.419 -0.8 . . . . 0.0 109.47 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.44 -43.81 96.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.55 -0.719 . . . . 0.0 110.564 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -67.5 -40.39 85.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.439 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -41.47 97.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -44.84 89.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.867 -1.146 . . . . 0.0 109.194 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -48.81 80.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.236 -0.915 . . . . 0.0 109.307 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.58 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 34.5 t-20 -60.31 -46.64 89.16 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.397 -0.814 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.08 -43.97 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 p -60.92 -42.3 97.84 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 0.0 109.726 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.51 85.86 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.564 179.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.55 HD11 ' HE ' ' C' ' 23' ' ' ARG . 95.0 mt -61.78 -42.47 99.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.192 -0.943 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.408 HD23 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -60.35 -48.8 80.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.271 -0.893 . . . . 0.0 108.982 179.492 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.08 -46.11 90.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 0.0 109.409 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -64.36 -40.18 95.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.341 -0.849 . . . . 0.0 109.094 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.58 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -49.52 77.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.167 -0.958 . . . . 0.0 109.088 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.2 -50.05 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.302 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.58 -42.28 98.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.387 -0.821 . . . . 0.0 109.376 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.16 -49.05 79.15 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.73 -41.34 97.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -0.828 . . . . 0.0 109.4 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.68 -41.69 99.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.0 109.157 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.54 -45.03 92.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.15 -0.969 . . . . 0.0 109.19 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.304 -0.872 . . . . 0.0 108.675 179.267 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -64.51 -39.85 94.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.38 -0.825 . . . . 0.0 109.507 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.51 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.1 t -60.42 -43.01 97.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 0.0 109.283 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.51 ' N ' HG23 ' B' ' 5' ' ' THR . 61.4 tp -63.82 -40.95 97.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.973 . . . . 0.0 108.845 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.55 -39.58 91.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.28 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.913 -1.117 . . . . 0.0 109.059 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.63 -46.41 84.36 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -48.85 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.502 -0.999 . . . . 0.0 109.509 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.81 -43.28 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 108.964 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.5 -40.5 91.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.265 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -41.62 92.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.747 -179.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.24 -42.19 94.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.84 -1.163 . . . . 0.0 109.499 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.01 -43.45 95.23 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.02 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.699 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.35 -41.95 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.34 -0.85 . . . . 0.0 109.328 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.408 HD11 HD23 ' B' ' 104' ' ' LEU . 61.5 tp -61.46 -40.63 95.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.908 . . . . 0.0 109.4 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.03 -48.28 82.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.113 -0.992 . . . . 0.0 109.84 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.19 -41.08 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.941 -1.1 . . . . 0.0 109.593 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -45.2 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.922 . . . . 0.0 109.287 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.04 -41.63 92.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.586 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 42.4 mtt-85 -62.15 -40.21 95.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.53 -0.731 . . . . 0.0 109.591 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.12 -39.78 87.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.078 -1.014 . . . . 0.0 109.413 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -60.24 -48.85 79.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 109.52 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.13 -40.72 96.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.985 -1.072 . . . . 0.0 109.471 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -60.93 -40.37 92.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.293 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.819 . . . . 0.0 109.327 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.48 90.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.934 -1.103 . . . . 0.0 109.302 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -60.82 -42.37 97.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.084 -1.01 . . . . 0.0 109.193 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -62.57 -40.09 95.76 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.869 . . . . 0.0 109.511 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.17 -40.09 82.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.477 -0.764 . . . . 0.0 108.955 179.496 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.28 -42.83 96.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 110.138 -179.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.8 89.22 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.12 -49.86 75.98 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.948 -1.325 . . . . 0.0 109.912 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.24 -39.96 96.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.085 -1.01 . . . . 0.0 109.455 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.618 HD21 ' NH2' ' B' ' 41' ' ' ARG . 45.1 t-20 -59.89 -40.21 87.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 109.524 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.23 -39.75 87.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 109.347 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.13 -39.97 88.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.212 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 56.6 p -60.77 -40.07 91.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.618 ' NH2' HD21 ' B' ' 37' ' ' ASN . 28.3 mtt-85 -64.41 -40.08 95.09 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.36 -41.62 87.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.527 -0.733 . . . . 0.0 109.116 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.4 p -59.82 -40.04 87.11 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.481 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.19 94.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 178.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -59.94 -39.82 81.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.748 -0.595 . . . . 0.0 109.759 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.01 -40.09 88.07 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -178.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.17 -41.86 97.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.448 -0.783 . . . . 0.0 109.665 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.31 -38.25 78.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 110.231 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.09 -40.07 88.35 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.93 -1.106 . . . . 0.0 108.282 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.1 -40.55 90.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.566 -1.334 . . . . 0.0 107.89 178.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.06 -39.77 87.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.466 -0.771 . . . . 0.0 108.988 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.07 -39.95 83.71 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.098 -1.001 . . . . 0.0 109.003 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.636 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.35 -35.16 75.03 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.284 -179.114 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 51.0 t30 . . . . . 0 N--CA 1.502 2.161 0 CA-C-O 121.43 0.633 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.15 34.08 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.8 t -81.09 109.88 16.07 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 118.808 -1.157 . . . . 0.0 108.208 -179.034 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 mt -80.94 136.41 36.03 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.434 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' THR . 9.0 t -87.55 116.22 65.44 Favored Pre-proline 0 C--N 1.301 -1.52 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.438 ' O ' ' ND2' ' B' ' 83' ' ' ASN . 18.6 Cg_endo -93.58 -47.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.573 1.516 . . . . 0.0 114.25 -179.703 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -122.04 -44.3 2.3 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.4 p90 -60.23 -49.81 76.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.578 -1.327 . . . . 0.0 112.468 -175.841 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.9 t30 -71.75 -40.31 69.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.078 -1.639 . . . . 0.0 110.17 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 79' ' ' PRO . 91.6 m-20 -60.0 -50.08 75.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.975 . . . . 0.0 110.609 -178.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.18 -46.63 89.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.908 -1.12 . . . . 0.0 109.453 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 48.2 p -69.48 -40.09 77.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.979 -1.075 . . . . 0.0 109.658 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -67.0 -39.87 87.2 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.089 -1.044 . . . . 0.0 109.115 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.17 -42.06 94.18 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.79 -1.194 . . . . 0.0 108.468 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.48 -40.25 90.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.09 -1.006 . . . . 0.0 108.804 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.45 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -59.95 -49.95 75.68 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.28 -42.3 99.23 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.332 -0.855 . . . . 0.0 110.034 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' B' ' 91' ' ' ARG . 50.7 mtt-85 -61.81 -41.24 97.52 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.954 -1.092 . . . . 0.0 110.391 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -60.29 -44.12 95.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.96 -1.088 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.97 -40.4 87.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.285 -0.885 . . . . 0.0 109.11 179.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.26 -44.0 95.66 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.613 -0.679 . . . . 0.0 110.536 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -67.66 -39.91 84.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.801 -1.187 . . . . 0.0 109.622 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.66 -41.18 96.27 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.174 -0.954 . . . . 0.0 109.04 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.67 -44.43 90.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.127 . . . . 0.0 109.437 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.11 -49.19 78.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.367 -0.833 . . . . 0.0 109.258 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.575 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 34.5 t-20 -60.22 -46.55 89.36 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.462 -0.773 . . . . 0.0 109.373 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.21 -43.89 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.438 -0.789 . . . . 0.0 109.789 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 22.9 p -60.86 -42.46 97.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.901 -1.124 . . . . 0.0 109.658 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.44 90.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.731 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.482 HD11 ' HE ' ' A' ' 23' ' ' ARG . 94.7 mt -62.6 -42.23 99.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.246 -0.909 . . . . 0.0 109.226 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.408 HD23 HD11 ' B' ' 18' ' ' LEU . 84.7 mt -60.22 -49.2 78.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.271 -0.893 . . . . 0.0 109.162 179.414 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -45.62 92.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -64.52 -39.98 94.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.0 109.205 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.47 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.238 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.31 -50.0 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.213 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.05 -42.01 98.74 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.296 -0.877 . . . . 0.0 109.305 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.05 -49.39 77.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 108.603 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.21 -41.75 97.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -62.4 -42.01 99.11 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.012 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -62.73 -45.79 91.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.218 -0.926 . . . . 0.0 109.082 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 50.4 ttp . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.282 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.63 -40.28 95.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.359 -0.838 . . . . 0.0 109.456 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.25 -42.8 96.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' C' ' 5' ' ' THR . 62.6 tp -64.26 -40.42 95.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.925 -1.11 . . . . 0.0 108.861 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.03 -39.71 93.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 109.743 179.462 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.56 93.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.835 -1.166 . . . . 0.0 109.114 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.98 80.67 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 179.12 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -48.87 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.46 -1.023 . . . . 0.0 109.495 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.27 -43.57 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.793 -1.192 . . . . 0.0 108.918 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -60.26 -40.01 88.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.037 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -41.51 92.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.09 -42.14 94.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.912 -1.118 . . . . 0.0 109.598 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.01 -43.33 95.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.452 -0.78 . . . . 0.0 109.168 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.38 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.333 -0.854 . . . . 0.0 109.641 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.76 -41.61 99.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.836 . . . . 0.0 109.183 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.405 HD11 HD23 ' C' ' 104' ' ' LEU . 60.4 tp -61.33 -40.78 95.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.246 -0.909 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.27 -48.51 81.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.909 . . . . 0.0 109.667 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.2 -40.78 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.117 -0.989 . . . . 0.0 109.593 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.36 -45.11 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.0 109.28 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.06 -41.28 92.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.58 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 43.5 mtt-85 -62.27 -39.91 94.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.555 -0.716 . . . . 0.0 109.622 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.206 -0.934 . . . . 0.0 109.3 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.68 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.522 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.34 -40.7 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.077 -1.015 . . . . 0.0 109.453 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.22 -40.22 93.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.421 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.2 -39.95 88.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.0 109.031 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.52 -40.19 90.57 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.995 -1.066 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.402 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.6 mt -60.78 -42.42 97.51 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 80.9 p -62.5 -40.08 95.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.303 -0.873 . . . . 0.0 109.422 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.34 -39.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -60.01 -43.25 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.446 -0.784 . . . . 0.0 110.314 -179.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.74 89.53 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.858 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -60.05 -49.93 75.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.973 -1.31 . . . . 0.0 109.856 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.09 -40.04 96.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.289 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.602 HD21 ' NH2' ' C' ' 41' ' ' ARG . 45.5 t-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.106 -0.996 . . . . 0.0 109.627 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 38' ' ' LEU . 88.8 mt -60.51 -39.7 88.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 179.176 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -59.58 -40.51 87.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.058 -1.026 . . . . 0.0 109.144 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -60.02 -40.4 89.16 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.602 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -64.46 -40.11 95.09 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.8 -40.91 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 51.4 p -60.22 -40.0 88.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.921 -1.112 . . . . 0.0 109.221 -179.359 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.3 94.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 108.893 179.05 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.24 -39.64 81.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.639 -0.663 . . . . 0.0 109.703 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -40.37 88.86 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.132 -0.98 . . . . 0.0 108.956 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.6 -41.75 95.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 60.0 m-85 -69.74 -38.11 76.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.174 -0.954 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.83 -40.05 87.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.969 -1.082 . . . . 0.0 108.253 179.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -60.1 -40.19 88.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.684 -1.26 . . . . 0.0 108.155 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.28 -39.66 87.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 109.007 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.627 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.18 -39.91 84.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 108.871 -179.6 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.627 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.43 -35.57 76.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 109.199 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 C--N 1.302 -1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 109.049 -178.835 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 51.4 t30 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 121.562 0.696 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.19 34.11 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -80.92 109.74 15.78 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.161 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.86 136.28 36.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.495 0.664 . . . . 0.0 109.429 -178.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.605 HG23 ' O ' ' C' ' 78' ' ' THR . 8.6 t -87.18 116.09 64.92 Favored Pre-proline 0 N--CA 1.49 1.545 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . 0.461 ' O ' ' ND2' ' C' ' 83' ' ' ASN . 20.7 Cg_endo -93.5 -47.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.595 1.53 . . . . 0.0 114.202 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -122.07 -44.73 2.28 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.1 p90 -59.85 -49.72 76.6 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.494 -1.379 . . . . 0.0 112.566 -175.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.7 t30 -71.73 -40.26 69.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 119.975 -1.703 . . . . 0.0 110.125 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' C' ' 79' ' ' PRO . 91.7 m-20 -60.32 -49.99 75.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 0.0 110.527 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.25 -46.48 89.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.732 -1.23 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 48.1 p -69.41 -39.93 77.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -67.03 -40.16 87.16 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.001 -1.062 . . . . 0.0 109.045 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -59.97 -42.03 93.23 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.916 -1.115 . . . . 0.0 108.428 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.53 -40.33 91.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.012 -1.055 . . . . 0.0 108.626 179.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.454 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.9 t90 -59.98 -49.79 76.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 108.959 179.309 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.91 -41.26 99.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.937 . . . . 0.0 109.95 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' C' ' 91' ' ' ARG . 50.7 mtt-85 -62.57 -41.54 99.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.018 . . . . 0.0 110.196 -179.761 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.791 -1.193 . . . . 0.0 109.222 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.93 -40.47 87.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.259 -0.901 . . . . 0.0 109.144 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.11 -44.22 95.02 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.337 -0.852 . . . . 0.0 110.666 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.18 -40.27 86.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.689 -1.257 . . . . 0.0 109.535 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.38 -41.13 96.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.235 -0.916 . . . . 0.0 109.528 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.85 -44.13 90.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.092 . . . . 0.0 109.293 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.38 -49.13 78.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.347 -0.846 . . . . 0.0 109.198 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 34.6 t-20 -60.07 -47.1 87.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.454 -0.779 . . . . 0.0 109.222 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.01 -44.05 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.812 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 23.2 p -60.83 -42.58 97.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.963 -1.086 . . . . 0.0 109.765 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.72 89.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.456 HD11 ' HE ' ' B' ' 23' ' ' ARG . 94.6 mt -62.05 -42.69 99.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.232 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.405 HD23 HD11 ' C' ' 18' ' ' LEU . 85.4 mt -59.98 -48.75 80.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -0.901 . . . . 0.0 109.082 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.93 -46.53 89.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.498 -0.751 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.03 -40.02 95.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.446 -0.784 . . . . 0.0 109.327 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.91 99.45 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 0.0 109.508 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.62 -49.22 78.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.125 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.26 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.296 -0.877 . . . . 0.0 109.255 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.98 -41.88 98.51 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.272 -0.893 . . . . 0.0 109.29 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -60.0 -49.3 78.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.86 . . . . 0.0 108.918 179.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.44 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -61.88 -42.62 99.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.35 -0.843 . . . . 0.0 109.061 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.54 -45.42 93.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 50.9 ttp . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.34 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.49 -40.03 94.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.364 -0.835 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.1 t -60.0 -41.59 92.4 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.018 -1.051 . . . . 0.0 109.102 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 5' ' ' THR . 61.3 tp -60.76 -43.36 98.1 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.064 -1.022 . . . . 0.0 108.445 179.359 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.49 -40.05 93.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -0.785 . . . . 0.0 109.718 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.067 -1.02 . . . . 0.0 108.692 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.54 61.26 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -49.18 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.425 -1.044 . . . . 0.0 109.351 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.93 -46.12 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.139 -0.975 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.476 -0.765 . . . . 0.0 109.418 178.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -60.01 -42.53 94.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.457 -0.777 . . . . 0.0 109.241 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.14 -40.93 91.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.992 -1.068 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.288 -0.882 . . . . 0.0 109.442 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.2 mt-30 -65.34 -40.19 93.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.154 -0.966 . . . . 0.0 109.534 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.26 -40.09 93.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.0 108.996 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.97 -44.76 94.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.491 -0.756 . . . . 0.0 109.383 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.07 -46.7 88.68 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.225 -0.922 . . . . 0.0 110.248 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.416 -179.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -44.89 95.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.046 -1.034 . . . . 0.0 108.806 -179.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.01 -40.03 91.98 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.329 -0.857 . . . . 0.0 109.43 179.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.651 ' NE ' ' ND2' ' B' ' 99' ' ' ASN . 31.5 mmt180 -60.0 -40.22 88.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.68 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.35 -40.03 89.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 108.946 179.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.425 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 73.4 tp60 -59.97 -48.02 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 108.922 179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.6 -44.59 96.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.48 -40.04 89.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.32 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.03 -39.98 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.35 -0.844 . . . . 0.0 109.407 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 57.8 mtt-85 -60.06 -40.59 89.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.986 -1.071 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.538 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.3 mt -62.87 -40.6 98.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -65.24 -39.99 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.441 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.566 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 71.6 t -60.76 -40.8 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.435 -0.791 . . . . 0.0 109.366 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.01 -43.09 95.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.51 -46.77 92.71 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.08 -49.68 76.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.018 -1.284 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.1 mttp -61.81 -39.92 93.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.969 -1.082 . . . . 0.0 110.051 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.748 HD21 HH21 ' A' ' 41' ' ' ARG . 55.4 t-20 -60.04 -40.56 89.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.247 -0.908 . . . . 0.0 109.573 -179.493 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.54 -39.99 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.143 -0.973 . . . . 0.0 109.578 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.119 -0.988 . . . . 0.0 109.956 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.3 p -60.06 -41.19 91.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.975 -1.078 . . . . 0.0 108.563 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.748 HH21 HD21 ' A' ' 37' ' ' ASN . 29.9 mtt-85 -63.15 -40.03 96.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -40.92 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.817 . . . . 0.0 109.3 179.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -60.11 -39.98 88.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.124 -0.985 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.34 82.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.944 -1.098 . . . . 0.0 109.272 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.12 -45.12 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.473 -0.767 . . . . 0.0 110.944 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.23 -39.33 89.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.296 . . . . 0.0 109.978 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.159 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.0 m-85 -69.45 -39.21 77.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.049 -1.032 . . . . 0.0 109.442 178.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD2' HE22 ' C' ' 52' ' ' GLN . 64.5 mt -60.05 -39.93 87.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.933 -1.104 . . . . 0.0 108.874 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.02 -39.98 87.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 108.752 179.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.753 -1.217 . . . . 0.0 108.722 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.602 ' NE2' HD21 ' B' ' 74' ' ' ASN . 45.5 mt-30 -63.99 -37.3 86.92 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.585 179.137 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -32.88 55.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.824 -1.172 . . . . 0.0 108.064 179.067 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.344 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.598 HD21 ' NE2' ' C' ' 52' ' ' GLN . 17.0 t-20 . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 121.557 0.694 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.06 124.67 34.98 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.6 p -81.11 107.54 14.0 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.8 135.69 37.15 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.663 0.744 . . . . 0.0 109.882 -178.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 78' ' ' THR . 7.7 t -91.01 113.89 59.67 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.725 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -90.81 -48.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.097 0 C-N-CA 121.687 1.591 . . . . 0.0 114.222 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.64 -43.68 2.37 Favored 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.98 -48.44 81.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.352 -1.467 . . . . 0.0 112.358 -175.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.7 t30 -72.17 -43.27 64.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.214 -1.554 . . . . 0.0 110.366 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.92 -50.07 75.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.974 . . . . 0.0 110.568 -178.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.59 -43.77 97.97 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.054 -1.029 . . . . 0.0 109.745 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.7 p -70.0 -39.94 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -67.8 -40.07 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.914 -1.116 . . . . 0.0 109.315 -179.241 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.5 ' C ' ' HE ' ' A' ' 91' ' ' ARG . 93.0 mt-30 -59.92 -41.26 91.36 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.615 -1.303 . . . . 0.0 108.399 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.502 ' N ' HH21 ' A' ' 91' ' ' ARG . 88.7 tt0 -62.32 -40.57 96.77 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.131 -0.98 . . . . 0.0 108.475 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 70.1 t90 -60.0 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.518 -0.739 . . . . 0.0 109.072 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.39 -40.59 96.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.198 -0.939 . . . . 0.0 109.54 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.502 HH21 ' N ' ' A' ' 88' ' ' GLU . 87.0 mtm180 -63.63 -41.04 98.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.082 -1.011 . . . . 0.0 110.267 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.59 -42.86 97.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 109.625 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.41 -41.67 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.898 -1.126 . . . . 0.0 109.401 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.91 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.414 -0.804 . . . . 0.0 110.134 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -62.12 -40.13 94.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.995 -1.066 . . . . 0.0 109.99 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.01 -40.82 78.46 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.117 -0.989 . . . . 0.0 109.359 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 54.0 tp10 -60.79 -45.73 93.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 108.836 179.059 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.99 -47.42 85.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 0.0 109.304 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.628 ' ND2' ' NE ' ' C' ' 23' ' ' ARG . 26.0 t30 -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.178 -0.951 . . . . 0.0 109.121 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -60.08 -43.3 95.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.316 -0.865 . . . . 0.0 108.983 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.62 80.96 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 108.969 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.95 -45.55 92.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.291 -0.881 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.14 -43.2 95.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.165 -0.959 . . . . 0.0 109.138 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.96 -49.91 75.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.173 -0.954 . . . . 0.0 109.031 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -61.0 -41.59 96.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 108.973 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.33 97.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.266 -0.897 . . . . 0.0 109.798 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -59.88 -48.69 80.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.63 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.362 179.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 63.2 tt0 -62.64 -40.05 95.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.328 -0.857 . . . . 0.0 109.518 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -59.94 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.215 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -45.64 92.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.146 -0.971 . . . . 0.0 109.055 179.718 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.03 -45.38 92.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.24 -44.52 97.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.08 -1.012 . . . . 0.0 109.178 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.303 -1.446 0 O-C-N 121.239 -0.913 . . . . 0.0 108.709 179.437 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.71 -39.96 94.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 0.0 109.002 179.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.5 t -60.05 -41.46 92.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.2 -0.938 . . . . 0.0 109.075 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.526 ' N ' HG23 ' B' ' 5' ' ' THR . 61.8 tp -60.79 -43.71 97.76 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.436 -0.79 . . . . 0.0 109.659 179.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.07 87.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.005 -1.059 . . . . 0.0 108.719 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.58 61.45 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -49.11 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.07 -46.13 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.402 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.488 -0.757 . . . . 0.0 109.383 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -60.04 -42.19 93.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.18 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.71 -40.45 92.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.053 -1.03 . . . . 0.0 109.12 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.21 -40.74 91.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.915 . . . . 0.0 109.493 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 28.3 mt-30 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.504 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.42 -40.0 92.81 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.141 -0.975 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.11 -44.73 94.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.567 -0.708 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.08 -46.83 88.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.118 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.96 -40.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -44.72 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.086 -1.009 . . . . 0.0 108.733 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.16 -39.98 92.15 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.49 -0.756 . . . . 0.0 109.444 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.606 ' NE ' ' ND2' ' C' ' 99' ' ' ASN . 31.8 mmt180 -60.09 -40.5 89.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.864 . . . . 0.0 109.429 -179.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 108.924 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.446 ' NE2' ' OE1' ' B' ' 97' ' ' GLU . 73.4 tp60 -59.99 -48.07 83.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.227 -0.921 . . . . 0.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -44.21 97.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.131 -0.98 . . . . 0.0 109.58 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.89 -40.05 91.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.296 -0.877 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.97 -40.04 87.71 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.367 -0.833 . . . . 0.0 109.231 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.462 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 58.1 mtt-85 -59.93 -40.41 88.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.903 -1.123 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.516 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.0 mt -62.98 -40.92 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.003 -1.06 . . . . 0.0 109.562 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.8 p -65.13 -39.97 93.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.052 -1.03 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.552 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 71.0 t -60.58 -40.84 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -60.01 -43.19 95.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.448 -0.782 . . . . 0.0 110.318 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.67 -46.67 93.02 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -1.232 . . . . 0.0 109.983 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.552 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.1 mttp -61.47 -39.97 92.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.867 -1.146 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.737 HD21 HH21 ' B' ' 41' ' ' ARG . 54.9 t-20 -60.05 -40.73 90.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 109.448 -179.282 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.26 -39.95 92.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.09 -1.006 . . . . 0.0 109.559 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.24 -40.96 92.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.216 -0.928 . . . . 0.0 109.963 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 72.7 p -60.4 -40.59 91.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.088 -1.008 . . . . 0.0 108.594 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.737 HH21 HD21 ' B' ' 37' ' ' ASN . 31.1 mtt-85 -63.74 -40.06 95.8 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.2 -40.42 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 0.0 109.267 179.538 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.2 p -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.961 -1.087 . . . . 0.0 109.28 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -41.6 83.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.903 -1.123 . . . . 0.0 109.317 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.96 -45.96 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.81 -179.233 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -39.62 87.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.621 -1.3 . . . . 0.0 110.113 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.521 -1.362 . . . . 0.0 109.01 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.5 m-85 -69.47 -39.05 77.95 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.957 -1.089 . . . . 0.0 109.596 178.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.942 -1.099 . . . . 0.0 108.841 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.149 -0.969 . . . . 0.0 108.765 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.774 -1.204 . . . . 0.0 108.653 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.619 ' NE2' HD21 ' C' ' 74' ' ' ASN . 45.2 mt-30 -63.59 -37.94 89.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.037 -1.039 . . . . 0.0 109.623 178.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.6 -32.92 53.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.865 -1.147 . . . . 0.0 108.066 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.052 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.602 HD21 ' NE2' ' A' ' 52' ' ' GLN . 17.2 t-20 . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.562 0.696 . . . . 0.0 109.128 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.34 124.94 35.33 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -81.41 107.58 14.3 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.96 135.66 37.0 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.798 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.585 ' O ' HG23 ' B' ' 78' ' ' THR . 7.6 t -91.17 114.1 60.5 Favored Pre-proline 0 N--CA 1.491 1.613 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -91.19 -48.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.712 1.608 . . . . 0.0 114.179 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.75 -43.96 2.34 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.99 -48.36 82.03 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.422 -1.424 . . . . 0.0 112.422 -175.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.634 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.96 -43.62 64.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.215 -1.553 . . . . 0.0 110.425 -179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.98 -49.94 75.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.123 -0.986 . . . . 0.0 110.393 -178.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.7 -43.43 98.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.051 -1.031 . . . . 0.0 109.629 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 51.4 p -70.04 -40.01 75.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.123 -0.986 . . . . 0.0 110.215 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -67.75 -39.98 84.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.879 -1.138 . . . . 0.0 109.53 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . 0.506 ' C ' ' HE ' ' B' ' 91' ' ' ARG . 93.1 mt-30 -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.554 -1.342 . . . . 0.0 108.358 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.51 ' N ' HH21 ' B' ' 91' ' ' ARG . 88.6 tt0 -62.3 -40.53 96.6 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 108.496 178.517 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -59.95 -49.91 75.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.475 -0.765 . . . . 0.0 109.056 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.4 -39.96 94.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.51 HH21 ' N ' ' B' ' 88' ' ' GLU . 87.1 mtm180 -64.51 -40.79 96.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 110.1 -179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.87 -42.24 97.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.892 -1.13 . . . . 0.0 109.578 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.95 -47.93 83.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.463 -0.773 . . . . 0.0 110.183 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.41 -40.0 95.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.909 -179.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.27 -40.46 77.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.186 -0.946 . . . . 0.0 109.255 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.462 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 53.6 tp10 -61.08 -45.59 94.11 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 108.837 179.09 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.96 87.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.32 -0.863 . . . . 0.0 109.557 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.651 ' ND2' ' NE ' ' A' ' 23' ' ' ARG . 25.5 t30 -60.26 -45.39 93.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 109.436 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.97 -46.92 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.117 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -59.98 -43.49 95.1 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.335 -0.853 . . . . 0.0 109.084 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.34 82.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.424 -0.797 . . . . 0.0 109.11 179.363 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -45.68 92.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.447 -0.783 . . . . 0.0 109.115 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.08 -43.26 95.61 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.266 -0.896 . . . . 0.0 109.072 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.02 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 108.934 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -60.69 -41.41 95.11 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.052 -1.03 . . . . 0.0 109.319 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.99 97.75 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 109.655 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -49.02 79.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.091 -1.006 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 95.3 mt -60.03 -50.07 81.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.143 -0.973 . . . . 0.0 109.227 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 63.2 tt0 -62.37 -40.04 95.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.32 -0.863 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -59.93 -49.39 77.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.91 . . . . 0.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.07 -45.54 92.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.011 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.05 -45.32 93.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.841 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.55 -44.52 96.88 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.076 -1.015 . . . . 0.0 109.126 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.305 -1.348 0 O-C-N 121.341 -0.849 . . . . 0.0 108.774 179.399 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.4 0.619 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.63 -40.03 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.378 -0.826 . . . . 0.0 109.196 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.519 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.0 t -59.92 -41.76 92.43 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.117 -0.99 . . . . 0.0 109.146 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.519 ' N ' HG23 ' C' ' 5' ' ' THR . 61.8 tp -60.76 -43.38 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.149 -0.969 . . . . 0.0 108.418 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.43 -39.96 92.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.449 -0.782 . . . . 0.0 109.614 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.1 87.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 108.745 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.95 -46.33 59.93 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -49.04 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.321 -1.105 . . . . 0.0 109.274 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.03 -46.19 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -59.96 -42.09 93.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.42 -0.8 . . . . 0.0 109.373 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.95 -40.13 92.13 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.083 -1.01 . . . . 0.0 109.016 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.39 -40.59 91.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.325 -0.86 . . . . 0.0 109.495 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.1 mt-30 -65.61 -40.02 92.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 109.66 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.5 -40.04 92.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.166 -0.959 . . . . 0.0 108.983 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.07 -44.66 94.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.613 -0.68 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.01 -47.02 87.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.269 -0.894 . . . . 0.0 110.104 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.94 -40.06 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 0.0 109.523 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.97 -44.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 108.859 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.1 -40.12 92.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.628 ' NE ' ' ND2' ' A' ' 99' ' ' ASN . 31.6 mmt180 -60.07 -40.37 89.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.23 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.13 -39.99 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.994 179.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.425 ' NE2' ' OE1' ' C' ' 97' ' ' GLU . 73.5 tp60 -59.98 -48.06 83.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.249 -0.907 . . . . 0.0 108.989 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.5 -44.3 97.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.613 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.73 -40.1 91.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 109.188 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 0.0 109.245 179.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.478 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 58.6 mtt-85 -60.1 -40.05 88.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.115 -0.991 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.0 mt -63.28 -40.5 97.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.007 -1.058 . . . . 0.0 109.74 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -65.26 -40.0 93.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.465 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . 0.557 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 71.4 t -60.87 -40.76 86.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.232 -0.917 . . . . 0.0 109.409 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.95 -43.05 95.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.346 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.48 -47.09 91.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.13 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -1.232 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . 0.557 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.27 -40.02 92.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.918 -1.114 . . . . 0.0 110.164 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.746 HD21 HH21 ' C' ' 41' ' ' ARG . 55.4 t-20 -59.97 -40.67 89.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 109.489 -179.399 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.27 -39.93 92.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.073 -1.017 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.21 -40.96 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 0.0 110.112 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.49 -40.4 91.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.969 -1.082 . . . . 0.0 108.676 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.746 HH21 HD21 ' C' ' 37' ' ' ASN . 30.4 mtt-85 -63.84 -39.86 95.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -41.34 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.457 -0.777 . . . . 0.0 109.147 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 40' ' ' THR . 74.7 p -60.02 -40.01 87.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.054 -1.029 . . . . 0.0 109.212 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.71 83.49 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.84 -1.163 . . . . 0.0 109.312 179.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -59.95 -45.48 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 0.0 110.969 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.59 -39.27 87.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.539 -1.351 . . . . 0.0 110.088 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.99 -40.1 88.03 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.71 -1.243 . . . . 0.0 109.111 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.5 m-85 -69.67 -39.16 77.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.077 -1.014 . . . . 0.0 109.449 178.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.11 -39.98 88.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.949 -1.094 . . . . 0.0 108.905 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.9 -40.06 87.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 108.769 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.02 -39.87 87.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.806 -1.183 . . . . 0.0 108.627 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.598 ' NE2' HD21 ' A' ' 74' ' ' ASN . 44.8 mt-30 -63.86 -37.83 88.86 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.047 -1.033 . . . . 0.0 109.495 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.47 -32.64 51.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.842 -1.161 . . . . 0.0 108.109 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.117 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.619 HD21 ' NE2' ' B' ' 52' ' ' GLN . 17.0 t-20 . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 121.562 0.696 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.41 124.6 35.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -81.32 107.45 14.12 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 135.38 36.89 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.724 0.773 . . . . 0.0 109.909 -177.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.59 HG23 ' O ' ' C' ' 78' ' ' THR . 7.8 t -90.47 113.9 59.23 Favored Pre-proline 0 N--CA 1.49 1.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.93 -48.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.523 1.482 . . . . 0.0 114.26 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.71 -43.71 2.36 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -59.95 -48.45 81.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.451 -1.406 . . . . 0.0 112.309 -175.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.628 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.6 t30 -72.13 -43.38 64.8 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.144 -1.597 . . . . 0.0 110.347 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 110.463 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.63 -43.73 98.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.684 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 50.0 p -70.04 -40.06 75.37 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.073 -1.017 . . . . 0.0 110.097 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -67.52 -39.99 85.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.833 -1.167 . . . . 0.0 109.465 -179.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . 0.498 ' C ' ' HE ' ' C' ' 91' ' ' ARG . 92.8 mt-30 -59.99 -41.52 92.21 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.606 -1.308 . . . . 0.0 108.329 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.5 ' N ' HH21 ' C' ' 91' ' ' ARG . 88.6 tt0 -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.039 -1.038 . . . . 0.0 108.458 178.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.516 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.95 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.45 -40.2 95.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.875 . . . . 0.0 109.624 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . 0.5 HH21 ' N ' ' C' ' 88' ' ' GLU . 87.1 mtm180 -64.01 -40.94 97.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.105 -0.997 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -60.57 -42.63 97.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.839 -1.163 . . . . 0.0 109.644 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.81 -41.4 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.419 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -59.87 -48.27 82.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.41 -0.806 . . . . 0.0 110.119 -179.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -62.15 -40.34 95.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.053 -1.029 . . . . 0.0 109.848 -179.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.96 -40.7 78.72 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.187 -0.945 . . . . 0.0 109.329 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.478 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 53.9 tp10 -60.92 -45.76 93.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.165 -0.959 . . . . 0.0 108.887 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -47.28 86.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.286 -0.883 . . . . 0.0 109.334 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.606 ' ND2' ' NE ' ' B' ' 23' ' ' ARG . 26.4 t30 -59.94 -45.61 92.06 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.008 -1.057 . . . . 0.0 109.435 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.99 -46.7 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 0.0 109.122 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -59.96 -43.5 95.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.186 -0.946 . . . . 0.0 109.157 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.71 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.298 -0.876 . . . . 0.0 109.089 179.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.94 -45.69 91.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.23 -43.14 96.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -0.968 . . . . 0.0 109.12 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.92 -49.64 76.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.226 -0.921 . . . . 0.0 108.96 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.27 -41.47 96.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.933 . . . . 0.0 109.15 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.67 98.39 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.168 -0.957 . . . . 0.0 109.661 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.01 -49.11 78.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.696 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.07 -49.8 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.236 -0.915 . . . . 0.0 109.335 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' B' ' 16' ' ' GLN . 63.2 tt0 -62.56 -40.09 95.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 0.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -59.96 -49.39 77.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -45.74 91.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.04 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.0 -45.46 92.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.722 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.15 -44.53 97.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.958 -1.089 . . . . 0.0 109.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.304 -1.382 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.522 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.432 ' HG2' HH11 ' A' ' 4' ' ' ARG . 58.4 mtt-85 -68.09 -40.02 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.2 -0.937 . . . . 0.0 109.302 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.1 t -60.97 -40.71 94.44 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.283 -0.886 . . . . 0.0 109.175 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 5' ' ' THR . 63.6 tp -60.12 -43.79 95.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.05 -1.031 . . . . 0.0 108.406 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.18 -40.01 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.531 -0.73 . . . . 0.0 109.597 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.65 94.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.015 -1.053 . . . . 0.0 108.2 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.61 -45.4 85.09 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.95 -46.46 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -1.171 . . . . 0.0 109.619 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.98 -42.53 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.114 . . . . 0.0 109.07 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.34 -39.97 89.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.96 -41.95 93.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.93 . . . . 0.0 109.687 -178.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HG3' HE21 ' B' ' 14' ' ' GLN . 97.5 mt-30 -61.04 -41.8 97.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.97 -1.081 . . . . 0.0 109.196 179.652 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -44.05 94.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.362 -0.836 . . . . 0.0 109.193 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.5 mt-30 -61.13 -42.67 98.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.208 -0.933 . . . . 0.0 109.3 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.37 -41.44 98.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.0 109.378 179.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD11 HD23 ' A' ' 104' ' ' LEU . 58.5 tp -60.03 -43.33 95.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.478 -0.764 . . . . 0.0 109.014 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 55.1 t0 -59.98 -49.16 78.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.692 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.99 -40.78 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -43.54 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.912 . . . . 0.0 108.95 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.89 -41.58 96.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.781 . . . . 0.0 109.049 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HE ' HD11 ' B' ' 103' ' ' LEU . 58.0 mtt-85 -60.71 -40.09 90.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.653 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.173 -0.954 . . . . 0.0 108.601 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.01 -49.13 78.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.377 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.56 -42.23 98.36 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.994 -1.067 . . . . 0.0 109.499 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.33 -41.14 96.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 109.1 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.45 -0.781 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.1 -41.04 91.66 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.04 -1.038 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -60.98 -41.68 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.2 p -62.9 -40.01 96.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.055 -1.028 . . . . 0.0 109.581 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.25 -40.05 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.419 -0.8 . . . . 0.0 109.449 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.02 -42.25 93.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -0.925 . . . . 0.0 109.746 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.0 96.32 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.2 m -59.92 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.08 -1.247 . . . . 0.0 108.968 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -60.79 -40.05 91.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.055 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.339 -0.85 . . . . 0.0 109.875 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 38' ' ' LEU . 85.3 mt -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.885 -1.135 . . . . 0.0 108.226 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.284 -0.885 . . . . 0.0 109.18 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.05 -43.01 95.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.217 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.61 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.8 mtt-85 -63.25 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.729 -1.232 . . . . 0.0 108.575 178.587 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.34 -42.9 92.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.506 -0.746 . . . . 0.0 109.531 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 p -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.971 -1.081 . . . . 0.0 109.809 -179.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.95 98.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.994 -1.066 . . . . 0.0 109.096 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.44 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.49 -0.756 . . . . 0.0 109.238 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.77 -41.57 97.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.125 -0.984 . . . . 0.0 109.392 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.5 m-85 -69.97 -37.88 75.91 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.893 . . . . 0.0 109.081 179.14 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.862 -1.149 . . . . 0.0 108.92 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.58 -40.28 91.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.69 -1.256 . . . . 0.0 108.194 178.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.484 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -40.09 79.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.601 -179.793 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.06 81.37 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.964 -1.085 . . . . 0.0 108.414 179.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.771 -179.685 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 121.351 0.596 . . . . 0.0 109.936 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.67 124.05 35.52 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.4 p -83.6 103.07 12.63 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.419 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.8 mt -81.07 134.77 35.72 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.361 0.6 . . . . 0.0 109.739 -178.229 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 78' ' ' THR . 13.8 t -94.98 111.41 54.52 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.459 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -93.0 -47.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.809 1.673 . . . . 0.0 114.323 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.47 -45.25 2.32 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.316 -0.865 . . . . 0.0 113.215 -177.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.05 -55.26 36.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.299 -1.5 . . . . 0.0 112.185 -176.377 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.71 41.33 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 119.963 -1.711 . . . . 0.0 109.8 -179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.0 -48.06 83.28 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.961 . . . . 0.0 109.455 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.66 -40.69 97.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.156 -0.965 . . . . 0.0 109.67 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 81' ' ' TRP . 72.6 p -68.49 -39.87 81.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.038 -1.038 . . . . 0.0 109.424 179.596 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.521 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 57.9 t-105 -61.4 -40.22 93.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.939 -1.101 . . . . 0.0 109.225 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.95 91.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.76 -1.213 . . . . 0.0 108.897 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 -40.12 91.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.021 -1.05 . . . . 0.0 108.987 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 53.6 t90 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 109.359 179.118 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.92 -40.05 96.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.413 -0.804 . . . . 0.0 109.26 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 91' ' ' ARG . 19.7 mmm-85 -60.14 -42.73 95.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.358 -0.839 . . . . 0.0 109.842 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.15 -42.6 95.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.935 -1.103 . . . . 0.0 109.383 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.57 -40.56 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.269 -0.895 . . . . 0.0 109.192 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.91 -46.55 88.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -61.41 -43.25 99.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.975 -1.078 . . . . 0.0 109.946 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.87 -40.99 88.01 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.059 -1.026 . . . . 0.0 109.096 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 101' ' ' THR . 41.5 tt0 -60.11 -47.0 87.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.261 -0.899 . . . . 0.0 109.0 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.0 -42.35 94.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.284 -0.885 . . . . 0.0 109.286 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.88 -40.02 91.22 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.233 -0.917 . . . . 0.0 109.665 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.76 -42.97 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 0.0 109.106 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 97' ' ' GLU . 47.3 p -61.16 -43.87 98.2 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.931 . . . . 0.0 109.684 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.455 HD11 ' HE ' ' C' ' 23' ' ' ARG . 96.0 mt -61.65 -42.49 98.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.91 . . . . 0.0 109.426 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.412 HD23 HD11 ' A' ' 18' ' ' LEU . 83.6 mt -60.23 -44.7 94.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 0.0 109.233 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 -48.87 79.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.182 -0.948 . . . . 0.0 108.855 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.19 -41.97 97.75 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.57 92.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.197 -0.939 . . . . 0.0 109.513 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.98 -49.72 76.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.19 -0.944 . . . . 0.0 109.451 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.405 -0.809 . . . . 0.0 109.282 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 64.0 tt0 -61.45 -40.34 94.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -59.93 -50.01 75.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.465 -0.772 . . . . 0.0 109.532 -179.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.96 -45.96 90.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.588 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.2 -41.35 92.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 0.0 109.903 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.99 -49.71 76.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.033 -1.042 . . . . 0.0 109.608 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 0.0 108.692 179.726 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' B' ' 4' ' ' ARG . 56.8 mtt-85 -67.74 -40.02 84.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.454 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.5 t -61.1 -40.79 95.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.18 179.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 5' ' ' THR . 63.3 tp -59.97 -43.74 94.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 108.414 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.3 -40.0 88.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.549 -0.72 . . . . 0.0 109.515 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.4 94.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.431 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.63 -45.31 85.78 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.013 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.01 -46.5 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.314 -1.109 . . . . 0.0 109.656 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.03 -42.17 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.955 -1.091 . . . . 0.0 109.046 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 109.746 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.94 -41.67 92.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -178.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.403 HE21 ' HG3' ' A' ' 14' ' ' GLN . 97.5 mt-30 -61.12 -41.95 97.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.947 -1.096 . . . . 0.0 109.074 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.94 -43.92 94.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -0.89 . . . . 0.0 109.118 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.31 -42.41 98.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -0.947 . . . . 0.0 109.297 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.69 -41.43 98.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.407 HD11 HD23 ' B' ' 104' ' ' LEU . 58.1 tp -59.95 -43.42 95.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.29 -0.881 . . . . 0.0 109.181 179.305 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.299 -0.876 . . . . 0.0 109.821 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.98 -40.99 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.976 -1.077 . . . . 0.0 109.397 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -43.74 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.211 -0.931 . . . . 0.0 108.766 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.5 -42.06 95.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.48 -0.762 . . . . 0.0 109.191 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.451 ' HE ' HD11 ' C' ' 103' ' ' LEU . 58.8 mtt-85 -60.5 -39.94 89.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.12 -39.92 87.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.17 -0.956 . . . . 0.0 108.653 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.98 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 109.335 179.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.99 -41.88 97.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.115 -0.991 . . . . 0.0 109.37 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.52 -41.13 96.87 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.0 109.017 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.378 -0.826 . . . . 0.0 109.889 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.25 -41.08 92.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 109.287 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.44 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.4 mt -61.08 -41.66 97.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.16 -0.962 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.7 p -62.81 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.066 -1.021 . . . . 0.0 109.545 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.18 -40.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.442 -0.786 . . . . 0.0 109.454 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.97 -42.37 94.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.781 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.55 -44.89 96.41 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -59.96 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.013 -1.286 . . . . 0.0 108.975 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.97 -39.99 91.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.934 179.3 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.454 -0.779 . . . . 0.0 109.925 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.869 -1.144 . . . . 0.0 108.132 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.93 -39.99 87.4 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.404 -0.81 . . . . 0.0 109.292 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -60.03 -42.97 95.55 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.928 -1.107 . . . . 0.0 109.216 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.602 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.1 mtt-85 -63.12 -40.07 96.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.746 -1.221 . . . . 0.0 108.523 178.464 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -42.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.478 -0.764 . . . . 0.0 109.64 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -40.03 88.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.0 -1.062 . . . . 0.0 109.799 -179.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.15 98.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.022 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.12 -40.01 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.763 . . . . 0.0 109.234 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.363 -178.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.32 -41.47 98.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.115 -0.991 . . . . 0.0 109.091 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -70.06 -37.68 75.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.105 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.03 -40.31 88.9 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.955 -1.091 . . . . 0.0 109.008 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.35 -40.25 90.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.713 -1.242 . . . . 0.0 108.108 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.17 -39.97 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.056 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -39.9 78.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 108.602 -179.739 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.93 82.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.948 -1.095 . . . . 0.0 108.374 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 109.617 -179.714 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.135 0 CA-C-O 121.479 0.657 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.05 123.88 35.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 6.8 p -83.56 103.05 12.58 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 mt -81.21 134.69 35.66 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.296 0.57 . . . . 0.0 109.685 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.654 ' O ' HG23 ' B' ' 78' ' ' THR . 14.0 t -94.91 111.29 53.95 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.57 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -92.96 -47.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.667 1.578 . . . . 0.0 114.293 -179.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.52 -45.42 2.31 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.194 -0.941 . . . . 0.0 113.203 -177.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -59.96 -55.13 37.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.326 -1.484 . . . . 0.0 112.199 -176.34 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 9.3 t-20 -79.5 -35.46 40.11 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 119.93 -1.731 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.03 -47.95 83.71 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.144 -0.973 . . . . 0.0 109.486 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.78 -40.66 97.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.051 -1.031 . . . . 0.0 109.671 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.5 p -68.48 -39.96 81.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 109.329 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.517 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 57.7 t-105 -61.5 -40.12 93.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.944 -1.098 . . . . 0.0 109.146 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.01 -41.1 91.42 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.882 -1.136 . . . . 0.0 108.848 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.74 -40.14 91.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.126 -0.984 . . . . 0.0 108.958 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.517 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.1 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.375 -0.828 . . . . 0.0 109.312 179.122 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.39 -40.57 96.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.49 -0.757 . . . . 0.0 109.297 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.407 HH11 ' HG3' ' B' ' 91' ' ' ARG . 19.8 mmm-85 -60.07 -42.49 94.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 109.867 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.24 -42.63 95.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.934 -1.104 . . . . 0.0 109.464 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -40.31 88.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.0 109.172 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.04 -46.55 89.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.858 . . . . 0.0 110.057 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -61.37 -43.17 99.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.897 -1.127 . . . . 0.0 109.976 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.85 -41.1 87.9 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.077 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.42 ' O ' HG23 ' B' ' 101' ' ' THR . 41.1 tt0 -60.11 -46.4 89.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.0 109.086 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.7 -42.15 96.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.312 -0.867 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.01 -39.96 90.7 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.271 -0.893 . . . . 0.0 109.68 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.78 -42.77 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 0.0 109.083 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 97' ' ' GLU . 46.8 p -61.59 -43.63 98.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.736 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.456 HD11 ' HE ' ' A' ' 23' ' ' ARG . 96.1 mt -61.76 -41.9 98.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.407 HD23 HD11 ' B' ' 18' ' ' LEU . 83.3 mt -60.67 -44.65 96.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.011 -1.055 . . . . 0.0 109.14 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -49.11 78.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.163 -0.96 . . . . 0.0 108.82 179.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.17 -41.58 97.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 109.396 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.37 93.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.26 -0.9 . . . . 0.0 109.522 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -49.94 75.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.256 -0.903 . . . . 0.0 109.386 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.04 -50.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.38 -0.825 . . . . 0.0 109.361 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.421 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 64.1 tt0 -61.29 -40.31 93.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 0.0 109.173 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -59.98 -49.96 75.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.425 -0.797 . . . . 0.0 109.564 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.11 -45.94 91.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -0.88 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.262 -0.899 . . . . 0.0 109.802 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.011 -1.056 . . . . 0.0 109.67 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 0.0 108.821 179.79 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' C' ' 4' ' ' ARG . 56.9 mtt-85 -67.81 -39.95 83.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.65 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.449 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.1 t -61.39 -40.43 94.32 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.449 ' N ' HG23 ' C' ' 5' ' ' THR . 63.4 tp -60.25 -43.69 95.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.967 . . . . 0.0 108.41 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.26 -40.01 88.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.668 -0.645 . . . . 0.0 109.65 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.33 94.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.023 -1.048 . . . . 0.0 108.351 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.84 87.67 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.334 -1.098 . . . . 0.0 109.753 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.09 -42.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.42 -39.94 89.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 179.095 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -41.81 93.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.0 109.8 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.1 -41.77 97.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.915 -1.116 . . . . 0.0 109.13 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -43.78 95.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.218 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.6 mt-30 -61.48 -42.35 98.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.914 . . . . 0.0 109.257 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -41.23 97.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -0.867 . . . . 0.0 109.183 179.36 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.422 HD11 HD23 ' C' ' 104' ' ' LEU . 58.0 tp -60.04 -43.48 95.31 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.24 -0.912 . . . . 0.0 109.056 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.04 -48.8 80.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.263 -0.898 . . . . 0.0 109.749 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.05 -40.76 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.004 -1.06 . . . . 0.0 109.413 -179.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -43.38 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.231 -0.918 . . . . 0.0 108.991 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.35 -41.07 96.45 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.455 ' HE ' HD11 ' A' ' 103' ' ' LEU . 57.8 mtt-85 -61.28 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.457 -0.777 . . . . 0.0 109.587 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.03 -40.05 87.98 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.523 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 0.0 109.376 179.444 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.83 -42.05 97.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 0.0 109.37 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.48 -41.2 96.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.473 -0.767 . . . . 0.0 108.99 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.05 -40.32 89.03 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.28 -40.28 89.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -61.69 -41.55 97.74 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -62.85 -39.98 96.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 109.58 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.28 -39.98 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.437 -0.789 . . . . 0.0 109.399 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.01 -42.36 94.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.837 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.91 96.31 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.896 -1.355 . . . . 0.0 109.052 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.9 -39.87 90.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.013 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -60.09 -40.03 88.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 109.829 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.96 -39.9 87.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.937 -1.102 . . . . 0.0 108.202 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.128 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 49.7 p -60.11 -43.05 95.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.872 -1.143 . . . . 0.0 109.039 -179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.601 HH22 ' CG ' ' A' ' 82' ' ' ASN . 46.3 mtt-85 -63.2 -40.09 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.441 178.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.41 -42.85 92.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.436 -0.79 . . . . 0.0 109.618 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.979 -1.076 . . . . 0.0 109.837 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.03 98.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.009 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.35 -39.85 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.524 -0.735 . . . . 0.0 109.256 179.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -40.73 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.967 . . . . 0.0 109.275 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.52 -41.69 97.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.097 -1.002 . . . . 0.0 109.293 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -69.97 -37.71 75.87 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 109.235 179.181 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.08 -40.32 89.13 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.91 -1.119 . . . . 0.0 108.836 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.28 -40.53 90.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.654 -1.279 . . . . 0.0 108.148 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.09 -39.98 87.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.539 -0.726 . . . . 0.0 109.066 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -39.87 78.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.126 -0.984 . . . . 0.0 108.464 -179.776 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.12 82.66 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.984 -1.073 . . . . 0.0 108.428 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.878 . . . . 0.0 109.786 -179.72 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 121.451 0.643 . . . . 0.0 110.011 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 123.93 35.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.233 -179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 6.5 p -83.77 102.9 12.63 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.91 134.73 35.78 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.407 0.622 . . . . 0.0 109.694 -178.206 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.669 HG23 ' O ' ' C' ' 78' ' ' THR . 14.1 t -95.1 111.36 54.51 Favored Pre-proline 0 N--CA 1.492 1.636 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -93.02 -47.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.014 0 C-N-CA 121.673 1.582 . . . . 0.0 114.243 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.19 -45.59 2.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.299 -0.876 . . . . 0.0 113.273 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.3 p90 -60.02 -55.12 37.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.174 -1.578 . . . . 0.0 112.278 -176.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.72 41.3 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 119.916 -1.74 . . . . 0.0 109.709 -179.611 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.04 -47.85 84.15 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.126 -0.984 . . . . 0.0 109.357 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.96 -40.58 98.11 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.067 -1.021 . . . . 0.0 109.696 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.452 HG23 ' O ' ' C' ' 81' ' ' TRP . 72.3 p -68.45 -39.92 81.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.95 -1.094 . . . . 0.0 109.377 179.491 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.522 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 58.2 t-105 -61.42 -40.25 93.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 109.086 -179.679 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.96 91.1 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.831 -1.168 . . . . 0.0 108.944 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.78 -40.08 91.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.105 -0.997 . . . . 0.0 108.879 179.475 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.522 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 53.0 t90 -60.04 -49.96 75.62 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.249 -0.907 . . . . 0.0 109.38 179.159 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.67 -40.11 96.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.469 -0.769 . . . . 0.0 109.226 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' C' ' 91' ' ' ARG . 19.4 mmm-85 -60.24 -42.6 95.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.285 -0.885 . . . . 0.0 109.885 -179.816 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.19 -42.72 95.68 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.968 -1.082 . . . . 0.0 109.48 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.42 -40.38 87.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.12 -0.987 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.92 -46.38 89.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.197 -0.939 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -61.85 -43.1 99.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.937 -1.102 . . . . 0.0 109.857 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.82 -41.06 88.11 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.071 -1.018 . . . . 0.0 109.015 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.418 ' O ' HG23 ' C' ' 101' ' ' THR . 41.2 tt0 -60.26 -46.51 89.56 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 0.0 109.029 179.521 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.44 -42.49 96.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.337 -0.852 . . . . 0.0 109.181 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -65.48 -40.42 93.1 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.227 -0.921 . . . . 0.0 109.749 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.71 -42.23 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 109.197 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 97' ' ' GLU . 46.3 p -62.01 -43.54 98.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.153 -0.967 . . . . 0.0 109.568 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.48 77.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.451 HD11 ' HE ' ' B' ' 23' ' ' ARG . 96.1 mt -61.48 -42.38 98.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 109.511 -179.758 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.422 HD23 HD11 ' C' ' 18' ' ' LEU . 83.4 mt -60.41 -44.5 95.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.007 -1.058 . . . . 0.0 109.128 179.343 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -48.95 79.6 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.181 -0.95 . . . . 0.0 108.908 179.666 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.2 -42.09 97.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.295 -0.878 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.5 92.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.02 -49.84 76.1 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.209 -0.932 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.11 -49.93 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.285 -0.884 . . . . 0.0 109.507 179.536 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.45 -40.19 93.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.477 -179.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -46.12 90.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.221 -0.924 . . . . 0.0 109.537 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.23 -41.28 92.76 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 109.735 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -60.99 -49.8 75.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.975 -1.078 . . . . 0.0 109.531 179.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 108.835 179.799 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -63.51 -39.77 95.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.38 -0.825 . . . . 0.0 109.634 179.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.6 t -59.6 -43.36 93.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.159 -0.963 . . . . 0.0 108.783 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 5' ' ' THR . 63.4 tp -62.49 -40.95 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.052 -1.03 . . . . 0.0 108.504 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.43 -37.58 80.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.682 -0.636 . . . . 0.0 109.342 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.97 90.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.15 62.49 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -59.64 -50.07 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.578 -0.954 . . . . 0.0 109.415 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.85 -44.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.119 -0.988 . . . . 0.0 108.691 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.15 -40.32 93.42 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.307 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.73 -41.88 91.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.464 -0.772 . . . . 0.0 109.644 -179.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.98 -40.59 93.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 109.539 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -60.09 -46.26 90.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 109.999 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.49 -41.28 93.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.564 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.58 -41.71 98.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.042 -1.036 . . . . 0.0 109.001 179.122 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.9 -45.75 91.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.256 -0.902 . . . . 0.0 109.452 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.31 -0.869 . . . . 0.0 109.623 -179.088 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.12 -41.31 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 109.088 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -49.46 83.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.201 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -61.7 -40.29 94.47 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.743 0.783 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.576 ' NH2' HD21 ' B' ' 99' ' ' ASN . 11.4 tpp180 -60.71 -39.44 88.58 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.03 -39.52 86.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.109 -0.995 . . . . 0.0 108.562 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -60.18 -42.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.399 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -67.18 -40.7 86.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.62 -1.3 . . . . 0.0 109.353 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.28 -41.07 92.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.121 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.0 -38.91 84.02 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.51 HH22 ' CD ' ' A' ' 97' ' ' GLU . 49.5 mtt-85 -60.07 -40.89 91.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.93 -1.106 . . . . 0.0 108.846 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 79.8 mt -62.23 -41.63 98.58 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.226 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.9 p -63.51 -39.63 94.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 109.606 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.62 -40.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -59.57 -43.48 93.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -45.12 96.01 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.5 m -60.19 -50.09 75.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -1.142 . . . . 0.0 108.803 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.11 -40.13 92.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 178.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.582 HD21 HD21 ' B' ' 82' ' ' ASN . 44.2 t-20 -59.56 -40.32 86.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.481 -0.762 . . . . 0.0 109.101 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.51 -39.42 87.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.711 -1.243 . . . . 0.0 108.758 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.36 -39.47 87.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.138 -0.976 . . . . 0.0 109.089 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.5 p -60.34 -43.46 96.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.025 -1.047 . . . . 0.0 108.939 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.601 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 55.3 mtt-85 -62.24 -39.99 94.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.743 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.12 -45.08 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.592 -0.693 . . . . 0.0 109.956 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -60.13 -39.8 87.55 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.61 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.53 99.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.97 -1.081 . . . . 0.0 108.449 178.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.31 -39.63 81.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.53 -40.33 91.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.527 -178.226 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.03 -39.99 95.32 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.596 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 62.1 m-85 -69.78 -38.43 76.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.333 -0.854 . . . . 0.0 109.436 179.492 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.449 HD22 HE22 ' C' ' 52' ' ' GLN . 55.3 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 179.648 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.836 -1.165 . . . . 0.0 108.918 179.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.22 -39.83 91.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.637 -0.664 . . . . 0.0 109.992 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.65 ' NE2' HD21 ' B' ' 74' ' ' ASN . 26.0 mt-30 -60.28 -39.82 88.25 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.93 -1.106 . . . . 0.0 109.801 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.77 78.66 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 N--CA 1.487 1.386 0 O-C-N 121.502 -0.749 . . . . 0.0 109.053 179.118 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.644 HD21 ' NE2' ' C' ' 52' ' ' GLN . 18.2 t-20 . . . . . 0 N--CA 1.503 2.188 0 CA-C-O 121.396 0.617 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.5 123.27 35.68 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.4 p -83.14 106.07 14.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.2 mt -82.79 134.38 35.12 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.42 0.629 . . . . 0.0 109.409 -178.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 78' ' ' THR . 15.2 t -92.33 112.41 55.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.606 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -92.64 -48.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.432 1.421 . . . . 0.0 114.532 -178.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.4 -45.35 2.33 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.171 -0.955 . . . . 0.0 113.062 -177.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.55 32.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.253 -1.529 . . . . 0.0 112.738 -176.149 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -76.38 -39.74 52.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 119.976 -1.702 . . . . 0.0 109.749 -179.275 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.12 -45.18 93.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.57 -42.08 95.91 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.001 . . . . 0.0 108.498 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 p -68.7 -39.94 80.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.197 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -61.52 -39.81 92.38 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.79 92.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.013 -1.054 . . . . 0.0 108.668 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -41.83 97.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.917 -1.115 . . . . 0.0 108.561 178.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.9 t90 -60.07 -49.45 77.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.921 . . . . 0.0 109.675 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.58 -40.52 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.086 -1.009 . . . . 0.0 109.835 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.89 -40.69 87.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -60.39 -41.07 93.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.806 -1.184 . . . . 0.0 108.677 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.9 -40.46 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.177 -0.952 . . . . 0.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.53 -40.84 96.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.597 -0.69 . . . . 0.0 110.71 -179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.75 -39.97 84.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.713 -1.242 . . . . 0.0 109.001 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.32 -40.26 93.49 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.51 ' CD ' HH22 ' A' ' 29' ' ' ARG . 40.9 tt0 -60.26 -48.77 80.32 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -0.95 . . . . 0.0 109.275 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.0 93.35 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.604 HD21 ' NH2' ' C' ' 23' ' ' ARG . 39.9 t-20 -64.65 -44.92 88.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.1 -41.87 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.139 -0.975 . . . . 0.0 109.34 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 97' ' ' GLU . 41.6 p -60.81 -41.0 94.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 179.57 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.34 77.92 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.15 -0.969 . . . . 0.0 108.866 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD11 HH21 ' C' ' 23' ' ' ARG . 87.3 mt -60.32 -43.1 96.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.443 -0.786 . . . . 0.0 109.601 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.85 -41.27 95.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.215 -0.928 . . . . 0.0 108.785 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.07 -44.56 97.19 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.576 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' A' ' 110' ' ' GLN . 99.4 mt-10 -64.66 -40.07 94.78 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.151 -0.968 . . . . 0.0 109.394 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.39 96.23 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.494 -0.754 . . . . 0.0 109.79 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.83 -45.73 91.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.57 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.88 -49.19 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLU . 1.8 mp0 -67.0 -40.26 87.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.87 -1.144 . . . . 0.0 109.799 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.03 -49.05 79.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.341 -0.849 . . . . 0.0 109.376 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.86 -41.78 97.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 0.0 109.293 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -61.68 -40.51 95.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.06 -1.025 . . . . 0.0 109.576 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.43 -44.87 95.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.053 -1.029 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.175 -0.953 . . . . 0.0 108.617 179.248 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -63.53 -39.65 94.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.486 -0.759 . . . . 0.0 109.683 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.535 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.8 t -59.89 -43.34 94.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.189 -0.944 . . . . 0.0 108.588 -179.545 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.535 ' N ' HG23 ' B' ' 5' ' ' THR . 63.9 tp -62.68 -40.73 98.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 108.494 178.686 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.41 -37.73 80.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.033 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.79 89.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -47.75 62.82 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 178.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.49 -49.6 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.531 -0.982 . . . . 0.0 109.35 179.355 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -43.96 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.081 -1.012 . . . . 0.0 108.59 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.72 -40.92 94.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 108.881 178.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.61 -41.6 90.73 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.629 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.38 -40.21 93.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.113 -0.992 . . . . 0.0 109.789 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -60.35 -46.1 91.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 109.915 -179.46 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.77 -41.71 96.03 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.03 -1.043 . . . . 0.0 109.689 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.09 -41.26 99.37 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.64 -44.92 95.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.328 -0.857 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.49 -47.4 86.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.731 -179.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.28 -41.42 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.316 -0.953 . . . . 0.0 109.134 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.69 -49.59 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.368 -0.832 . . . . 0.0 108.901 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.6 -40.11 93.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.458 -0.776 . . . . 0.0 108.991 179.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.584 ' NH2' HD21 ' C' ' 99' ' ' ASN . 11.3 tpp180 -60.83 -39.11 87.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 109.037 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.22 -39.32 86.22 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -59.77 -42.5 93.43 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 109.593 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.77 -40.12 84.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.773 -1.204 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.49 -40.61 91.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.294 -0.878 . . . . 0.0 109.003 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.55 -39.03 86.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.697 -0.627 . . . . 0.0 109.472 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.516 HH22 ' CD ' ' B' ' 97' ' ' GLU . 51.3 mtt-85 -60.14 -40.57 90.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.154 -0.966 . . . . 0.0 108.923 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.7 mt -62.5 -41.25 98.69 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.051 -1.031 . . . . 0.0 109.236 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 54.5 p -63.76 -40.41 96.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.163 -0.961 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.7 -40.18 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 108.914 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.08 -42.91 95.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.523 -0.736 . . . . 0.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.13 96.42 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 109.778 -179.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.892 -1.358 . . . . 0.0 109.111 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -40.56 94.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.615 178.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.621 HD21 HD21 ' C' ' 82' ' ' ASN . 43.3 t-20 -58.91 -40.67 85.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.152 -0.967 . . . . 0.0 109.262 -179.686 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -40.38 86.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.759 -1.213 . . . . 0.0 108.64 179.351 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.89 -40.35 88.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.237 -0.914 . . . . 0.0 108.977 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -59.67 -44.06 93.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.824 -1.172 . . . . 0.0 109.1 -179.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.585 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 55.3 mtt-85 -61.68 -40.33 94.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.906 -1.121 . . . . 0.0 108.585 178.474 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.98 -44.64 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.594 -0.691 . . . . 0.0 110.037 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -60.17 -40.36 89.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.707 -1.245 . . . . 0.0 109.546 -179.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.84 99.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.016 -1.052 . . . . 0.0 108.544 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.11 -39.93 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.79 -40.56 88.74 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.829 -178.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.13 -40.18 95.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.373 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -69.76 -38.42 76.75 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.141 -0.974 . . . . 0.0 109.481 179.312 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.436 HD22 HE22 ' A' ' 52' ' ' GLN . 57.6 mt -59.78 -41.21 90.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.0 109.476 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.76 -40.29 91.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.94 -1.1 . . . . 0.0 108.685 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.15 -40.44 89.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.705 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.649 ' NE2' HD21 ' C' ' 74' ' ' ASN . 27.1 mt-30 -60.37 -39.65 87.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.743 -1.223 . . . . 0.0 109.553 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.53 78.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.142 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.029 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.65 HD21 ' NE2' ' A' ' 52' ' ' GLN . 18.5 t-20 . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 121.257 0.551 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.58 123.56 36.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 108.834 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -83.34 106.06 14.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.73 134.33 35.14 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.479 0.657 . . . . 0.0 109.334 -178.075 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.643 ' O ' HG23 ' B' ' 78' ' ' THR . 15.3 t -92.25 112.31 54.55 Favored Pre-proline 0 N--CA 1.491 1.621 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -92.74 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.462 1.442 . . . . 0.0 114.631 -178.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -121.72 -45.28 2.29 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.321 -0.862 . . . . 0.0 112.967 -177.122 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -60.31 -55.86 28.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.512 -1.368 . . . . 0.0 112.591 -176.183 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -76.09 -40.01 54.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.943 -1.723 . . . . 0.0 109.766 -179.194 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.96 -45.45 92.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.206 -0.934 . . . . 0.0 109.688 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -42.62 94.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.883 -1.136 . . . . 0.0 108.584 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 61.2 p -68.47 -39.97 81.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.07 179.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -61.18 -40.29 93.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.012 -1.055 . . . . 0.0 108.835 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.14 -42.11 89.9 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.316 -0.954 . . . . 0.0 108.792 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -41.77 97.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.981 -1.075 . . . . 0.0 108.735 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.479 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.6 t90 -60.12 -49.77 76.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.685 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.305 -0.872 . . . . 0.0 109.472 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -66.38 -40.35 89.64 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.368 -0.833 . . . . 0.0 110.154 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -60.0 -42.74 94.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.932 -1.105 . . . . 0.0 108.532 179.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.51 -40.98 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.281 -0.887 . . . . 0.0 109.027 178.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -61.11 -40.77 95.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.256 -0.903 . . . . 0.0 110.927 -179.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -67.82 -40.25 83.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.636 -1.29 . . . . 0.0 108.928 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.68 -40.87 96.15 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.746 . . . . 0.0 109.377 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.516 ' CD ' HH22 ' B' ' 29' ' ' ARG . 40.3 tt0 -60.05 -49.0 79.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.854 . . . . 0.0 109.187 179.621 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.07 -40.39 93.47 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.211 -0.931 . . . . 0.0 109.192 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.576 HD21 ' NH2' ' A' ' 23' ' ' ARG . 39.3 t-20 -64.51 -44.97 89.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.17 -42.11 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.084 -1.01 . . . . 0.0 109.397 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 97' ' ' GLU . 44.8 p -60.75 -40.89 94.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.19 78.5 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.125 -0.984 . . . . 0.0 109.175 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.55 -44.11 96.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 0.0 109.566 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.59 -41.82 98.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.153 -0.967 . . . . 0.0 108.957 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -60.9 -43.76 98.05 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.296 -0.878 . . . . 0.0 109.325 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 110' ' ' GLN . 98.1 mt-10 -64.72 -40.63 95.67 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.042 -1.036 . . . . 0.0 109.032 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.434 -0.791 . . . . 0.0 109.876 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.999 -1.063 . . . . 0.0 109.365 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.99 -49.63 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.769 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 106' ' ' GLU . 1.8 mp0 -67.5 -39.94 85.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.135 -0.978 . . . . 0.0 109.691 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.23 -48.93 79.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.009 -1.057 . . . . 0.0 109.487 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.59 -41.81 98.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.39 -0.819 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -61.01 -40.78 94.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.095 -1.003 . . . . 0.0 109.394 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.58 -44.54 96.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.992 -1.068 . . . . 0.0 109.252 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 C--N 1.303 -1.447 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.577 179.31 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.05 -39.44 94.1 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 110.123 179.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.54 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.5 -43.43 93.34 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.203 -0.936 . . . . 0.0 108.66 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.54 ' N ' HG23 ' C' ' 5' ' ' THR . 63.9 tp -62.39 -41.04 98.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.949 -1.095 . . . . 0.0 108.399 178.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.05 -37.63 81.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.367 -0.833 . . . . 0.0 109.229 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.23 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.64 -47.65 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.93 -50.06 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.524 -0.986 . . . . 0.0 109.394 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.17 -44.29 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.003 -1.061 . . . . 0.0 108.64 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.95 -40.29 92.75 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -59.23 -42.35 90.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 110.045 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.08 -40.48 93.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 109.727 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.02 -46.65 88.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.13 -42.29 94.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.536 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.38 -41.63 98.78 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.924 -1.11 . . . . 0.0 109.101 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.58 -45.22 94.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.352 -0.842 . . . . 0.0 109.268 -179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.62 -47.73 84.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.27 -41.05 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.354 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.3 -49.62 83.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.465 -0.772 . . . . 0.0 109.028 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.58 -40.41 94.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.815 -0.754 . . . . 0.0 108.997 179.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.604 ' NH2' HD21 ' A' ' 99' ' ' ASN . 11.5 tpp180 -59.5 -40.29 86.57 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.451 -0.78 . . . . 0.0 109.193 179.494 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.78 -39.39 84.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 108.938 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.09 -42.29 94.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.219 -0.925 . . . . 0.0 109.688 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.82 -40.31 83.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.754 -1.217 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 36.7 tp -59.92 -41.25 91.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.453 -0.78 . . . . 0.0 109.21 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.29 -38.62 84.17 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.611 -0.681 . . . . 0.0 109.345 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' C' ' 97' ' ' GLU . 50.2 mtt-85 -60.16 -40.49 90.09 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.117 -0.99 . . . . 0.0 108.884 -179.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 81.2 mt -62.5 -40.99 98.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.038 -1.039 . . . . 0.0 109.399 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 50.1 p -63.93 -40.29 96.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.178 -0.951 . . . . 0.0 109.455 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.82 -40.38 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -59.95 -43.56 94.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.19 95.44 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.924 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.3 -49.88 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.806 -1.408 . . . . 0.0 109.103 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.55 -40.15 93.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.45 -0.781 . . . . 0.0 109.458 179.023 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.647 HD21 HD21 ' A' ' 82' ' ' ASN . 41.5 t-20 -59.07 -40.89 86.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.471 -0.768 . . . . 0.0 109.118 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.67 -40.03 86.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.841 -1.162 . . . . 0.0 108.71 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.23 -40.28 89.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 108.834 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 57.0 p -59.72 -43.72 94.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.953 -1.092 . . . . 0.0 109.063 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.63 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 54.1 mtt-85 -62.35 -39.36 92.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.995 -1.065 . . . . 0.0 108.81 178.437 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.94 -44.54 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.607 -0.683 . . . . 0.0 109.739 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -60.01 -40.89 90.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.773 -1.204 . . . . 0.0 109.457 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.63 99.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.976 -1.077 . . . . 0.0 108.78 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.33 -39.54 81.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.89 -40.67 89.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 0.0 109.603 -178.517 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.98 -40.33 96.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.791 -1.193 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.3 m-85 -69.81 -38.03 76.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.0 109.385 179.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.448 HD22 HE22 ' B' ' 52' ' ' GLN . 56.0 mt -60.11 -41.09 91.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.617 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.46 -40.34 90.84 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.042 -1.036 . . . . 0.0 108.678 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.49 -40.31 90.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 110.441 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.644 ' NE2' HD21 ' A' ' 74' ' ' ASN . 26.8 mt-30 -60.21 -39.98 88.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.604 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.06 78.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.096 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 179.296 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.649 HD21 ' NE2' ' B' ' 52' ' ' GLN . 18.5 t-20 . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 121.507 0.67 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.23 37.46 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.062 -1.023 . . . . 0.0 108.855 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.4 p -82.77 105.44 13.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.38 134.43 35.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.476 0.655 . . . . 0.0 109.413 -178.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.645 HG23 ' O ' ' C' ' 78' ' ' THR . 15.1 t -92.32 112.68 56.41 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -92.84 -48.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.115 0 C-N-CA 121.627 1.551 . . . . 0.0 114.889 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.55 -45.44 2.31 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.146 -0.971 . . . . 0.0 112.985 -177.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.679 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -60.14 -55.63 31.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.308 -1.495 . . . . 0.0 112.685 -176.059 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.679 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -76.13 -39.88 54.04 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 119.966 -1.709 . . . . 0.0 109.837 -179.206 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -60.52 -45.1 95.08 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.457 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.4 -42.78 96.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 108.339 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 56.3 p -67.84 -40.26 83.74 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.376 -0.828 . . . . 0.0 109.296 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.406 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.8 t-105 -61.19 -40.21 93.06 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.207 -0.933 . . . . 0.0 108.957 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.58 -42.41 92.42 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.944 -1.097 . . . . 0.0 108.644 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.29 -42.24 95.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.082 . . . . 0.0 108.496 178.1 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.6 t90 -60.32 -48.92 79.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.06 -1.025 . . . . 0.0 109.648 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.71 -40.79 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.293 -0.879 . . . . 0.0 109.645 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -67.28 -39.67 86.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.72 -41.98 96.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.017 -1.073 . . . . 0.0 108.505 178.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.19 -40.62 89.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.367 -0.833 . . . . 0.0 108.993 178.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -61.11 -40.69 94.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.984 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.35 -40.11 81.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.738 -1.226 . . . . 0.0 108.845 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.4 -40.52 95.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.382 -0.824 . . . . 0.0 109.578 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.506 ' OE1' ' NH1' ' C' ' 29' ' ' ARG . 40.0 tt0 -60.15 -49.44 77.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.026 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.74 -40.47 92.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.25 -0.906 . . . . 0.0 109.179 179.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.584 HD21 ' NH2' ' B' ' 23' ' ' ARG . 39.8 t-20 -64.74 -44.21 90.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 110.084 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.15 -41.53 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.129 -0.982 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.438 HG23 ' O ' ' C' ' 97' ' ' GLU . 44.9 p -60.98 -40.62 94.14 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.189 -0.945 . . . . 0.0 108.952 179.422 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.1 78.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.921 . . . . 0.0 109.017 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.462 HD11 HH21 ' B' ' 23' ' ' ARG . 89.0 mt -60.24 -44.01 95.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.545 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.09 -41.6 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.851 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.328 -0.857 . . . . 0.0 109.095 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . 0.434 ' O ' ' OE1' ' C' ' 110' ' ' GLN . 98.7 mt-10 -64.77 -40.43 95.25 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.271 -0.893 . . . . 0.0 109.12 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.24 95.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.232 -0.918 . . . . 0.0 109.996 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.06 -46.54 89.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.0 109.373 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.55 -49.79 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.341 -0.849 . . . . 0.0 109.772 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' C' ' 106' ' ' GLU . 2.0 mp0 -66.81 -40.24 87.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.093 -1.004 . . . . 0.0 109.792 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.93 -48.51 81.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.314 -0.866 . . . . 0.0 109.474 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.45 -41.35 96.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.296 -0.878 . . . . 0.0 109.34 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -62.24 -39.89 94.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.873 . . . . 0.0 109.543 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.998 -1.064 . . . . 0.0 109.416 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.084 -1.01 . . . . 0.0 108.628 179.302 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 4' ' ' ARG . 55.6 mtt-85 -65.38 -39.66 92.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.397 -0.815 . . . . 0.0 109.119 179.071 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 7.5 t -59.91 -42.02 92.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.312 -0.867 . . . . 0.0 109.327 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 64.7 tp -62.24 -41.46 98.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 108.736 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.3 -39.37 86.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.332 -0.855 . . . . 0.0 109.679 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.69 89.18 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.048 -1.033 . . . . 0.0 108.832 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.52 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.46 -48.79 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.453 -1.028 . . . . 0.0 109.584 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.05 -47.04 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.152 -0.968 . . . . 0.0 109.406 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.15 -39.58 86.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.185 -0.947 . . . . 0.0 109.31 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -60.04 -41.57 92.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 0.0 109.465 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.002 -1.061 . . . . 0.0 109.366 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.37 -45.43 93.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.105 -0.997 . . . . 0.0 109.032 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.29 -43.73 96.01 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -0.987 . . . . 0.0 109.781 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.84 -42.59 99.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 179.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.74 -41.47 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.845 . . . . 0.0 108.919 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 19' ' ' ASP . 50.9 t0 -60.21 -48.78 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.792 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.34 -40.12 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.0 109.596 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -41.81 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 108.571 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.5 -40.15 95.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.586 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.2 mmt180 -61.11 -40.74 94.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.6 -39.99 90.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.557 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.92 -49.65 76.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.122 -0.986 . . . . 0.0 109.651 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.85 -40.7 98.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.083 . . . . 0.0 109.227 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.56 -40.6 97.35 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.354 -0.842 . . . . 0.0 108.875 179.211 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.86 -39.97 91.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.431 -0.793 . . . . 0.0 109.59 179.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.24 -40.22 89.47 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.988 -1.07 . . . . 0.0 109.267 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.7 mt -61.59 -40.04 93.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.377 -0.827 . . . . 0.0 109.56 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -63.32 -40.03 96.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.066 -1.021 . . . . 0.0 109.709 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.66 -40.99 86.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.415 -0.803 . . . . 0.0 109.18 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.03 -41.28 91.89 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 110.04 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -49.94 73.05 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -60.02 -49.0 79.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.071 -1.252 . . . . 0.0 109.867 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.18 -39.87 88.02 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -0.87 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.664 HD21 ' NH2' ' A' ' 41' ' ' ARG . 56.1 t-20 -60.03 -39.91 87.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.267 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.38 -39.96 89.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 0.0 109.508 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.11 -39.94 87.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.066 -1.021 . . . . 0.0 109.303 -179.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.7 p -60.1 -40.71 90.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.693 -1.255 . . . . 0.0 108.435 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.664 ' NH2' HD21 ' A' ' 37' ' ' ASN . 26.1 mtt-85 -63.7 -40.29 96.42 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.8 -41.08 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.648 -0.658 . . . . 0.0 109.415 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.1 p -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.909 -1.119 . . . . 0.0 109.618 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.02 78.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.809 -1.182 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.03 -40.02 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.878 . . . . 0.0 111.241 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.06 -38.56 88.62 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.373 -1.454 . . . . 0.0 108.865 179.646 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.76 -49.06 79.21 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.362 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.569 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 36.9 m-85 -61.12 -40.04 92.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.006 -1.059 . . . . 0.0 109.727 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -39.89 87.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.92 -39.11 84.34 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.773 -1.205 . . . . 0.0 108.002 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.72 -39.58 85.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.501 -0.749 . . . . 0.0 109.406 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' NE2' ' OD1' ' B' ' 74' ' ' ASN . 2.8 mp0 -59.83 -39.79 86.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.782 -1.199 . . . . 0.0 108.995 179.195 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.87 76.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.873 -1.142 . . . . 0.0 108.016 179.275 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 108.914 179.152 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.578 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 58.4 t-20 . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 121.871 0.843 . . . . 0.0 109.023 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.43 8.34 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.326 -0.859 . . . . 0.0 108.835 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -81.54 108.05 14.8 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.95 134.56 35.73 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.409 0.623 . . . . 0.0 109.35 -178.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 78' ' ' THR . 9.6 t -90.85 114.19 60.57 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.45 -46.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.844 1.696 . . . . 0.0 113.815 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 82.9 tttt -121.51 -45.47 2.31 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.265 -0.897 . . . . 0.0 113.354 -176.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.0 p90 -61.45 -45.25 95.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.389 -1.444 . . . . 0.0 113.751 -175.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.7 t30 -77.6 -49.18 15.12 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.697 -1.877 . . . . 0.0 111.174 -178.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.7 p-10 -60.06 -49.73 76.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.954 -1.091 . . . . 0.0 110.313 -178.452 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.92 -45.0 96.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.74 -1.225 . . . . 0.0 109.597 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 81' ' ' TRP . 64.1 p -68.62 -40.08 80.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.243 -0.91 . . . . 0.0 109.717 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.14 -40.1 93.95 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.053 -1.03 . . . . 0.0 109.503 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.13 -40.04 88.36 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.55 -1.344 . . . . 0.0 108.438 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.1 t90 -60.03 -48.14 82.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.486 -0.758 . . . . 0.0 109.46 178.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.86 -39.99 95.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.093 -1.004 . . . . 0.0 109.378 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -62.21 -42.66 99.5 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.584 -0.698 . . . . 0.0 110.21 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.07 -43.03 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.798 -1.189 . . . . 0.0 109.281 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.92 -42.22 91.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.5 179.54 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -61.17 -40.3 93.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.22 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -68.9 -39.99 79.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.667 -1.27 . . . . 0.0 109.608 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.111 -0.993 . . . . 0.0 108.82 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 101' ' ' THR . 85.7 tt0 -60.51 -48.24 82.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.56 -0.712 . . . . 0.0 109.816 179.688 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.32 -44.28 95.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.407 -179.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.596 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.52 -45.0 95.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.14 -42.89 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 109.555 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 97' ' ' GLU . 44.8 p -60.31 -44.39 95.49 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.046 179.801 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.98 -48.72 80.51 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -44.51 94.71 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.6 -42.82 97.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.99 -49.21 78.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.78 -40.94 96.94 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.319 -0.863 . . . . 0.0 109.708 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.2 93.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.224 -0.922 . . . . 0.0 109.617 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.12 -44.09 97.39 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.347 179.511 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.98 -50.06 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.209 -0.932 . . . . 0.0 109.849 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -68.56 -40.25 80.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.733 -1.229 . . . . 0.0 110.046 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.08 -45.59 92.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 109.681 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.42 -40.19 77.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.186 -0.946 . . . . 0.0 109.551 -179.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.0 -40.15 90.91 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -0.904 . . . . 0.0 109.942 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -43.91 97.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.127 -0.983 . . . . 0.0 109.981 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.303 -1.414 0 O-C-N 121.164 -0.96 . . . . 0.0 108.909 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' B' ' 4' ' ' ARG . 55.6 mtt-85 -65.42 -39.33 91.99 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.395 -0.816 . . . . 0.0 109.044 179.072 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.506 HG23 ' N ' ' B' ' 6' ' ' LEU . 7.2 t -59.91 -42.08 93.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.295 -0.878 . . . . 0.0 109.281 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.506 ' N ' HG23 ' B' ' 5' ' ' THR . 64.6 tp -62.02 -41.66 98.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 108.795 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.07 -39.64 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.81 88.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.061 -1.024 . . . . 0.0 108.923 -179.215 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.98 80.01 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.15 -49.03 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.42 -1.047 . . . . 0.0 109.407 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.04 -46.96 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.031 -1.043 . . . . 0.0 109.464 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.205 -0.934 . . . . 0.0 109.132 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -59.91 -42.15 93.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.459 -0.775 . . . . 0.0 109.418 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.33 -42.14 95.02 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.103 -0.998 . . . . 0.0 109.427 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.18 -44.62 94.92 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.905 . . . . 0.0 109.215 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.2 -42.92 99.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.4 -42.58 99.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.047 -1.033 . . . . 0.0 109.228 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.46 -41.84 94.96 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 108.895 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.96 -48.68 80.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.42 -0.8 . . . . 0.0 109.717 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.38 -40.36 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 109.79 -179.505 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -41.61 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 0.0 108.498 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.51 -40.25 96.14 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.578 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.2 mmt180 -61.15 -40.99 95.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -40.09 89.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.513 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.92 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 0.0 109.456 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -41.93 98.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.87 -1.144 . . . . 0.0 109.247 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.7 -40.73 96.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.381 -0.824 . . . . 0.0 108.931 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.57 -39.95 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.319 -0.863 . . . . 0.0 109.663 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.67 -40.03 90.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.968 -1.082 . . . . 0.0 109.334 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.443 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.8 mt -61.8 -40.28 94.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 0.0 109.655 -179.85 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.063 -1.023 . . . . 0.0 109.788 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.62 -40.7 85.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.293 -0.88 . . . . 0.0 109.22 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -60.3 -41.3 93.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 0.0 109.935 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -49.62 76.54 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.14 -49.15 78.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.036 -1.273 . . . . 0.0 109.758 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -59.97 -39.95 87.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.92 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.646 HD21 ' NH2' ' B' ' 41' ' ' ARG . 57.6 t-20 -59.92 -40.17 87.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 109.307 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.505 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.0 -39.9 87.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 -179.222 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -60.29 -40.44 90.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.219 . . . . 0.0 108.368 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.646 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.7 mtt-85 -64.25 -40.05 95.21 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.55 -41.52 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.568 -0.708 . . . . 0.0 109.391 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.6 p -60.12 -40.04 88.33 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.723 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.89 77.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.784 -1.198 . . . . 0.0 109.219 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.68 -40.34 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.454 -0.779 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.84 -38.61 89.34 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.419 -1.426 . . . . 0.0 108.905 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.12 -48.76 80.38 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.248 -0.907 . . . . 0.0 109.239 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.569 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 37.3 m-85 -61.18 -40.12 92.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 109.674 179.273 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.85 -40.04 87.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -59.91 -39.33 85.06 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.802 -1.186 . . . . 0.0 107.992 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.26 -39.77 83.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.58 ' NE2' ' OD1' ' C' ' 74' ' ' ASN . 2.8 mp0 -59.81 -39.62 85.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.723 -1.236 . . . . 0.0 108.935 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.69 76.07 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.883 -1.135 . . . . 0.0 108.147 179.147 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 108.785 179.43 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.584 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 58.5 t-20 . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.937 0.875 . . . . 0.0 108.948 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.42 8.34 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.299 -0.876 . . . . 0.0 108.831 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.73 107.92 14.85 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.22 134.38 35.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.359 0.6 . . . . 0.0 109.386 -178.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.598 ' O ' HG23 ' B' ' 78' ' ' THR . 9.0 t -90.98 114.12 60.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 0.0 109.185 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -93.13 -46.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.885 1.723 . . . . 0.0 113.884 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . 0.437 ' O ' ' OD1' ' B' ' 83' ' ' ASN . 82.8 tttt -121.19 -45.81 2.33 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.156 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.86 -45.61 93.87 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.427 -1.421 . . . . 0.0 113.759 -175.734 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 58.9 t30 -77.33 -49.25 15.36 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 119.808 -1.808 . . . . 0.0 111.263 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 80' ' ' LYS . 18.8 p-10 -59.9 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.86 -1.15 . . . . 0.0 110.346 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.57 -45.09 95.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.729 -1.232 . . . . 0.0 109.818 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.496 HG23 ' O ' ' B' ' 81' ' ' TRP . 64.7 p -68.77 -39.96 79.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.33 -39.92 93.04 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.722 -1.236 . . . . 0.0 108.553 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.42 -40.24 95.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 63.9 t90 -60.35 -48.56 81.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.508 -0.745 . . . . 0.0 109.308 179.2 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.37 -40.3 96.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.081 -1.012 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.93 -42.68 99.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 0.0 110.183 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.17 -42.43 94.96 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 109.269 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.31 -42.14 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.434 -0.791 . . . . 0.0 109.5 179.401 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.58 -40.15 93.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.322 -0.861 . . . . 0.0 111.174 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -68.8 -40.03 79.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.723 -1.236 . . . . 0.0 109.474 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.18 -40.46 86.58 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.007 -1.058 . . . . 0.0 108.727 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 101' ' ' THR . 85.9 tt0 -60.06 -48.61 81.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.481 -0.762 . . . . 0.0 109.731 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -44.55 94.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.184 -0.947 . . . . 0.0 109.658 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.38 -44.94 95.16 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.172 -0.955 . . . . 0.0 109.636 -179.73 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.13 -42.79 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.661 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 97' ' ' GLU . 43.9 p -60.33 -44.36 95.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.053 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.71 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.393 -0.817 . . . . 0.0 109.399 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.42 -44.58 95.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.749 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.54 -42.65 96.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.048 -1.033 . . . . 0.0 109.594 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.42 -48.79 80.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 -179.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.98 -41.01 97.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.5 -0.75 . . . . 0.0 109.904 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.878 . . . . 0.0 109.656 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.13 -43.91 97.79 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.005 -1.06 . . . . 0.0 109.39 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.02 -50.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.354 -0.841 . . . . 0.0 109.672 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.03 -39.99 78.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 110.045 -179.591 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -60.0 -45.47 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 109.714 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.54 -40.21 77.0 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.316 -0.865 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.0 -40.1 90.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 109.937 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.49 -43.97 97.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.064 . . . . 0.0 109.882 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 C--N 1.304 -1.381 0 O-C-N 121.168 -0.957 . . . . 0.0 108.967 179.934 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.312 0.577 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' C' ' 4' ' ' ARG . 55.2 mtt-85 -65.59 -39.7 91.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.891 179.134 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.516 HG23 ' N ' ' C' ' 6' ' ' LEU . 7.6 t -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.928 . . . . 0.0 109.278 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.516 ' N ' HG23 ' C' ' 5' ' ' THR . 64.9 tp -61.63 -41.65 97.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 108.815 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.08 -39.59 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 109.809 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.7 88.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.158 -0.964 . . . . 0.0 108.855 -179.425 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.68 -47.07 80.14 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.03 -49.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.408 -1.054 . . . . 0.0 109.463 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.99 -1.069 . . . . 0.0 109.288 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.16 -39.8 87.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.157 -0.965 . . . . 0.0 109.297 178.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.94 -41.19 91.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.401 -179.026 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -61.44 -42.17 98.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.11 -0.994 . . . . 0.0 109.38 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.24 -44.02 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.228 -0.92 . . . . 0.0 109.095 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.94 -41.97 98.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.926 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -41.75 98.8 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.035 -1.041 . . . . 0.0 109.287 179.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.13 -41.45 96.75 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.28 -0.887 . . . . 0.0 108.883 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.07 -49.24 78.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 109.692 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.14 -40.15 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.159 -0.963 . . . . 0.0 109.685 -179.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -42.03 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.075 -1.015 . . . . 0.0 108.363 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.15 -40.24 95.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.484 -0.76 . . . . 0.0 109.221 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.596 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.92 -41.04 95.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.523 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.23 -40.1 89.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.187 -0.946 . . . . 0.0 109.64 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.05 -49.64 76.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 109.419 -179.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.75 -41.01 98.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.46 -40.27 96.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.939 179.312 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.79 -40.21 91.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.336 -0.852 . . . . 0.0 109.506 179.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.55 -40.02 90.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.0 mt -61.55 -39.98 93.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 0.0 109.615 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.9 p -63.46 -40.01 95.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.996 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.31 -41.01 85.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -60.34 -40.92 92.38 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.413 -0.804 . . . . 0.0 109.97 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -49.79 74.7 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.09 -48.71 80.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.947 -1.325 . . . . 0.0 109.919 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.21 -40.1 88.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.863 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.665 HD21 ' NH2' ' C' ' 41' ' ' ARG . 56.0 t-20 -59.88 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.308 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.3 -40.01 89.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.067 -1.021 . . . . 0.0 109.5 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.77 -40.34 87.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.041 -1.037 . . . . 0.0 109.13 -179.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.6 p -60.08 -40.37 89.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.735 -1.228 . . . . 0.0 108.458 179.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.665 ' NH2' HD21 ' C' ' 37' ' ' ASN . 26.5 mtt-85 -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.696 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.55 -41.24 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.647 -0.658 . . . . 0.0 109.41 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 60.5 p -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.946 -1.096 . . . . 0.0 109.56 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.902 -1.124 . . . . 0.0 109.203 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.88 -40.23 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 111.085 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.04 -38.26 87.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.358 -1.464 . . . . 0.0 108.889 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -59.97 -49.06 79.17 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.578 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 37.5 m-85 -61.18 -39.98 92.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 109.653 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.97 -39.93 87.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.143 -0.973 . . . . 0.0 109.58 -179.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.794 -1.191 . . . . 0.0 108.039 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -39.69 85.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.0 109.369 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.578 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 2.8 mp0 -59.74 -39.69 85.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.685 -1.259 . . . . 0.0 108.946 179.591 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.87 76.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.937 179.305 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' B' ' 52' ' ' GLN . 58.6 t-20 . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.971 0.891 . . . . 0.0 109.039 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.72 123.53 8.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.344 -0.847 . . . . 0.0 108.915 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -81.77 107.62 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.99 134.56 35.71 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.165 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.592 HG23 ' O ' ' C' ' 78' ' ' THR . 9.4 t -90.71 114.03 59.92 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.388 -0.82 . . . . 0.0 109.225 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -93.33 -46.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.036 0 C-N-CA 121.816 1.677 . . . . 0.0 113.663 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' C' ' 83' ' ' ASN . 82.7 tttt -121.55 -45.33 2.31 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.035 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -61.47 -45.34 94.67 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.432 -1.417 . . . . 0.0 113.774 -175.585 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.629 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.6 t30 -77.54 -48.85 15.97 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 119.854 -1.778 . . . . 0.0 111.366 -178.579 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' C' ' 80' ' ' LYS . 18.0 p-10 -60.08 -50.03 75.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.071 . . . . 0.0 110.122 -178.576 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.26 -46.05 91.15 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.772 -1.205 . . . . 0.0 109.838 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 81' ' ' TRP . 64.5 p -67.9 -39.98 83.54 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 109.753 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -65.56 -39.81 92.1 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.492 -179.578 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.05 -40.11 88.28 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.662 -1.274 . . . . 0.0 108.445 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.93 -40.37 97.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.443 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.4 t90 -59.96 -47.72 84.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.495 -0.753 . . . . 0.0 109.465 178.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.134 -0.978 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -62.13 -42.64 99.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.553 -0.717 . . . . 0.0 110.158 -179.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.12 -43.01 95.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 0.0 109.272 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.77 -42.42 92.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.382 -0.823 . . . . 0.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.06 -40.39 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.0 111.153 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.808 -1.182 . . . . 0.0 109.592 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.34 -40.2 85.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.147 -0.971 . . . . 0.0 108.85 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.4 ' O ' HG23 ' C' ' 101' ' ' THR . 85.4 tt0 -60.21 -48.67 80.75 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.431 -0.793 . . . . 0.0 109.616 179.547 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.09 -44.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 109.629 -179.461 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.7 t-20 -60.05 -44.79 94.44 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.182 -0.949 . . . . 0.0 109.817 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.45 -42.84 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 109.521 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.4 HG23 ' O ' ' C' ' 97' ' ' GLU . 44.5 p -60.18 -43.93 95.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.154 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.76 79.55 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.369 -0.832 . . . . 0.0 109.42 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.2 -44.65 94.95 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.369 -0.832 . . . . 0.0 109.827 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.48 -42.85 97.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.965 . . . . 0.0 109.565 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.07 -49.0 79.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.97 -40.83 96.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.857 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.54 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 0.0 109.597 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.985 -1.072 . . . . 0.0 109.393 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.36 -50.05 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.21 -0.931 . . . . 0.0 109.688 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.87 -40.1 79.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.912 -1.118 . . . . 0.0 110.124 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.08 -45.52 92.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 109.659 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.62 -40.03 76.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.02 -40.1 90.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.133 -0.979 . . . . 0.0 109.897 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.39 -43.69 98.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.992 -1.067 . . . . 0.0 109.992 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.951 . . . . 0.0 108.9 179.831 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -61.97 -39.97 93.99 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 6' ' ' LEU . 15.2 t -60.35 -42.5 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.282 -0.887 . . . . 0.0 108.88 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 5' ' ' THR . 58.9 tp -60.05 -43.51 95.32 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.42 -39.9 95.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.614 -0.679 . . . . 0.0 109.203 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.04 91.5 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.862 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.88 -44.71 67.25 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.06 -49.95 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.091 . . . . 0.0 109.34 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -59.98 -47.51 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.11 -0.994 . . . . 0.0 109.198 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 109.14 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.01 -43.57 95.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.451 -0.781 . . . . 0.0 109.224 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.4 -41.4 93.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.24 -42.75 95.95 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.257 -0.902 . . . . 0.0 108.967 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.1 -40.87 95.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.536 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.17 -44.08 97.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.983 . . . . 0.0 109.035 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.69 -42.58 97.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.329 -0.857 . . . . 0.0 109.118 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.1 t0 -60.05 -47.22 86.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.381 -0.824 . . . . 0.0 109.96 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.0 -40.01 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.033 . . . . 0.0 109.445 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.96 -40.75 83.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.9 -40.56 95.87 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.68 -0.637 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.9 mpt_? -59.98 -42.83 95.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.143 -0.973 . . . . 0.0 108.885 179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.192 -0.943 . . . . 0.0 109.109 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.403 HE22 HD13 ' A' ' 100' ' ' ILE . 3.2 tp-100 -59.96 -45.57 92.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.372 -0.83 . . . . 0.0 109.666 179.869 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.64 -41.41 83.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.552 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.126 -0.983 . . . . 0.0 109.339 179.48 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.94 -40.52 89.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.726 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.0 -39.94 91.63 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.078 -1.014 . . . . 0.0 109.361 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.1 mt -64.5 -40.12 95.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -61.98 -39.95 93.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.013 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.99 -40.0 84.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.299 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -60.07 -47.94 83.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.35 -0.843 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.9 88.74 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.346 -179.081 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -59.96 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.964 -1.315 . . . . 0.0 109.353 -179.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -61.35 -39.94 92.44 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.316 -0.865 . . . . 0.0 109.035 179.043 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.597 HD21 HD21 ' B' ' 82' ' ' ASN . 43.8 t-20 -60.02 -40.01 87.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.452 -0.78 . . . . 0.0 109.505 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.95 -40.03 87.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 108.486 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 109.135 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.5 p -60.02 -41.54 92.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.803 -1.186 . . . . 0.0 108.731 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.618 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 49.9 mtt-85 -61.91 -40.1 94.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.026 -1.047 . . . . 0.0 108.378 178.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.06 -42.6 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.618 -0.676 . . . . 0.0 110.035 -179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -59.96 -40.08 87.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.886 -1.134 . . . . 0.0 110.115 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.48 98.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.873 -1.142 . . . . 0.0 108.082 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.52 -39.77 82.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.845 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.05 -40.25 88.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.087 -1.008 . . . . 0.0 109.043 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.75 -42.33 99.62 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 109.708 179.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.0 m-85 -69.43 -38.07 77.71 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.21 -0.931 . . . . 0.0 109.616 179.747 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' HE22 ' C' ' 52' ' ' GLN . 49.5 mt -59.97 -39.96 87.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.922 -1.111 . . . . 0.0 109.239 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.76 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.926 -1.109 . . . . 0.0 108.708 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.99 -39.96 87.52 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.063 -1.023 . . . . 0.0 109.054 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.433 HE22 ' CD2' ' B' ' 49' ' ' LEU . 37.3 mt-30 -60.7 -39.95 90.42 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.012 -1.055 . . . . 0.0 109.331 179.143 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.23 -32.6 64.6 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.953 -1.092 . . . . 0.0 108.262 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.549 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.143 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 125.82 35.32 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -82.1 108.91 15.94 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.8 mt -82.15 137.1 35.04 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.321 0.581 . . . . 0.0 109.866 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -90.85 112.84 55.62 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.429 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -94.7 -47.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.997 0 C-N-CA 121.624 1.549 . . . . 0.0 114.609 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -119.93 -46.29 2.44 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.215 -0.928 . . . . 0.0 113.025 -176.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.7 p90 -59.98 -56.36 22.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.335 -1.478 . . . . 0.0 112.536 -176.286 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 20.2 t-20 -76.17 -38.02 57.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.142 -1.598 . . . . 0.0 109.966 -179.156 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.9 -44.24 94.36 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 -179.187 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.03 -45.87 91.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.983 . . . . 0.0 108.433 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -67.39 -40.08 85.65 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.462 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -62.32 -40.06 95.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.008 . . . . 0.0 109.579 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.29 91.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.639 -1.288 . . . . 0.0 108.312 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.07 -39.99 91.99 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.434 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 54.8 t90 -60.0 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.452 -0.78 . . . . 0.0 109.144 179.469 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.59 -40.79 97.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.128 -0.982 . . . . 0.0 109.375 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -63.19 -41.91 99.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 110.503 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.06 -43.67 98.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.75 -1.219 . . . . 0.0 109.601 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.14 -40.95 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.044 -1.035 . . . . 0.0 109.545 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.74 -40.07 91.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.135 -0.978 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.71 -40.01 80.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.622 -1.299 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.939 . . . . 0.0 109.64 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.27 -40.33 95.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.047 -1.033 . . . . 0.0 110.274 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.15 -39.98 78.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.03 -1.043 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.84 -40.99 96.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.377 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.403 HD13 HE22 ' A' ' 25' ' ' GLN . 75.2 mt -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.4 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.918 . . . . 0.0 110.04 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.48 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.111 -0.993 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.34 -40.42 93.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.232 -0.917 . . . . 0.0 109.565 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.56 -40.65 97.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 0.0 109.163 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.98 -48.56 81.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.92 . . . . 0.0 109.242 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.42 -41.43 97.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 109.208 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.09 83.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.0 109.541 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.06 -45.06 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.689 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.35 -45.14 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.984 . . . . 0.0 109.219 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.67 -39.96 76.69 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.404 -0.81 . . . . 0.0 109.991 -179.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.06 -50.0 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.062 -1.024 . . . . 0.0 109.778 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.54 -42.53 96.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.22 -42.12 98.05 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.254 -0.904 . . . . 0.0 109.746 -179.486 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.48 -44.76 93.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.396 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.5 ttp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.449 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.539 0.685 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.03 -40.03 94.32 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.493 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.4 t -60.35 -42.45 95.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.295 -0.878 . . . . 0.0 108.81 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.493 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -60.01 -43.81 94.99 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.471 -0.768 . . . . 0.0 109.311 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.34 91.98 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -44.82 70.06 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.94 -50.01 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.401 -1.058 . . . . 0.0 109.324 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -47.14 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.007 -1.058 . . . . 0.0 109.217 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.83 -40.01 96.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.959 . . . . 0.0 109.171 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -43.45 95.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.409 -0.807 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.43 -41.46 94.05 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.952 -1.092 . . . . 0.0 109.414 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.198 -0.938 . . . . 0.0 109.109 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.45 -40.42 93.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 17' ' ' LEU . 88.7 mt -61.4 -44.18 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 109.148 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.61 -42.64 97.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.473 -0.767 . . . . 0.0 109.131 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.494 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 53.4 t0 -60.02 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.426 -0.797 . . . . 0.0 109.863 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.97 -39.99 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.083 -1.01 . . . . 0.0 109.433 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 108.733 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.8 -40.2 94.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.6 -0.688 . . . . 0.0 109.548 179.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.494 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.9 mpt_? -60.42 -42.65 96.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.06 -1.025 . . . . 0.0 108.984 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.21 -40.01 88.6 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.014 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.414 HE22 HD13 ' B' ' 100' ' ' ILE . 3.2 tp-100 -60.02 -45.67 92.01 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.54 -41.12 84.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.95 -40.89 99.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.298 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.02 -40.56 89.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.439 -0.788 . . . . 0.0 109.565 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.95 -40.08 91.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.029 -1.044 . . . . 0.0 109.265 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.428 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.7 mt -64.33 -40.09 95.2 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.206 -0.934 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -61.89 -40.0 93.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.92 -40.13 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.426 -0.796 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -60.0 -47.9 83.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.459 -179.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.82 89.12 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.403 -179.2 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.976 -1.308 . . . . 0.0 109.381 -179.225 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.4 -40.04 92.93 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.271 -0.893 . . . . 0.0 108.992 179.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.624 HD21 HD21 ' C' ' 82' ' ' ASN . 43.8 t-20 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.442 -0.786 . . . . 0.0 109.503 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.03 -39.91 87.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.913 -1.117 . . . . 0.0 108.445 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.218 -0.926 . . . . 0.0 109.112 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 70.6 p -60.1 -41.01 91.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.824 -1.173 . . . . 0.0 108.709 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.602 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 48.7 mtt-85 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.689 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.83 -42.79 93.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.654 -0.654 . . . . 0.0 109.936 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.888 -1.132 . . . . 0.0 110.197 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.137 . . . . 0.0 108.117 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.28 -39.81 81.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 CA-C-O 121.183 0.516 . . . . 0.0 109.816 179.158 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.02 -40.88 90.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.088 -1.008 . . . . 0.0 108.87 -178.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.09 -42.6 99.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.393 -0.817 . . . . 0.0 109.621 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.7 m-85 -69.22 -38.08 78.35 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.0 109.761 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.433 ' CD2' HE22 ' A' ' 52' ' ' GLN . 50.7 mt -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.914 -1.116 . . . . 0.0 109.106 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.51 -39.97 95.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.805 -1.185 . . . . 0.0 108.658 178.591 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.09 -40.11 88.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.057 -1.027 . . . . 0.0 108.996 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.424 HE22 ' CD2' ' C' ' 49' ' ' LEU . 37.7 mt-30 -60.38 -39.94 89.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 109.467 179.109 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.52 64.5 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.831 -1.168 . . . . 0.0 108.293 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.557 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.53 125.54 35.24 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.93 108.95 15.85 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.046 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.07 136.98 35.14 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.996 -178.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.655 ' O ' HG23 ' B' ' 78' ' ' THR . 15.2 t -90.58 112.71 54.62 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.315 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -94.57 -46.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 121.671 1.58 . . . . 0.0 114.728 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -120.17 -46.34 2.42 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.184 -0.947 . . . . 0.0 113.032 -176.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.8 p90 -60.01 -56.49 21.04 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.408 -1.432 . . . . 0.0 112.526 -176.298 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 20.1 t-20 -75.91 -38.25 57.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.104 -1.622 . . . . 0.0 110.0 -179.227 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -60.02 -43.95 94.94 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.193 -0.942 . . . . 0.0 109.063 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -45.97 90.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 108.45 178.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 75.1 p -67.26 -40.03 86.18 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.378 -0.826 . . . . 0.0 109.059 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.416 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.8 t-105 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.96 -40.98 90.92 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.563 -1.336 . . . . 0.0 108.445 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.34 -40.01 92.68 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.416 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.9 t90 -59.99 -48.39 81.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.62 -40.37 96.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.173 -0.955 . . . . 0.0 109.595 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -63.64 -41.9 98.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 110.312 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.69 -43.77 97.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.879 -1.138 . . . . 0.0 109.857 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -40.71 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.8 -40.0 91.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.077 -1.014 . . . . 0.0 111.148 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -68.98 -40.04 79.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.617 -1.302 . . . . 0.0 109.655 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.72 -40.18 94.89 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.162 -0.961 . . . . 0.0 109.646 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.97 -40.99 97.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.167 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -68.68 -39.95 80.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.997 -1.064 . . . . 0.0 109.493 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.98 -40.6 95.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.275 -0.891 . . . . 0.0 109.332 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.414 HD13 HE22 ' B' ' 25' ' ' GLN . 75.5 mt -62.76 -46.53 96.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.203 -0.936 . . . . 0.0 109.245 179.378 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.9 p -59.99 -42.13 93.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.126 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.39 -40.32 93.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.207 -0.933 . . . . 0.0 109.666 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -40.85 97.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.086 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.0 -48.4 81.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.106 -0.996 . . . . 0.0 109.243 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.1 -41.86 97.45 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.013 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.17 83.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.338 -0.851 . . . . 0.0 109.623 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.1 -44.99 94.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.963 . . . . 0.0 109.619 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.07 -45.4 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.008 -1.058 . . . . 0.0 109.297 179.65 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -69.6 -40.0 76.91 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.358 -0.839 . . . . 0.0 110.105 -179.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -50.05 75.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.056 -1.028 . . . . 0.0 109.728 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -42.5 95.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 109.474 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -61.54 -41.68 97.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.281 -0.887 . . . . 0.0 109.662 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.84 -44.84 91.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.096 -1.002 . . . . 0.0 109.246 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 108.816 179.488 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.25 -40.04 94.86 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.479 -0.763 . . . . 0.0 108.952 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.506 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.17 -42.64 95.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 108.857 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.506 ' N ' HG23 ' C' ' 5' ' ' THR . 59.1 tp -59.95 -43.58 94.94 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.31 -39.97 96.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.499 -0.75 . . . . 0.0 109.183 178.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.24 91.96 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.226 -0.921 . . . . 0.0 108.794 -179.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.8 -44.47 69.35 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -49.97 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 0.0 109.473 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.13 -47.19 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.253 -0.905 . . . . 0.0 109.212 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.82 -40.07 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 109.065 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.9 -43.71 94.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.361 -0.837 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.26 -41.49 93.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.972 -1.08 . . . . 0.0 109.492 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.11 -42.6 95.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.071 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.35 -40.78 94.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.444 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.13 -44.33 97.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.02 -1.05 . . . . 0.0 109.131 179.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.25 -42.71 95.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.361 -0.837 . . . . 0.0 109.174 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . 0.482 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.0 t0 -59.96 -47.24 86.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 110.003 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.93 -40.05 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.85 -40.26 94.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.606 -0.684 . . . . 0.0 109.586 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.482 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.9 mpt_? -60.38 -42.77 96.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 108.909 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 0.0 108.991 179.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -60.05 -45.67 92.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.59 -41.15 84.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.0 -40.72 98.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.34 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.04 -40.75 90.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 109.585 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.72 -39.95 90.52 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.966 -1.084 . . . . 0.0 109.408 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.434 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.9 mt -64.43 -40.25 95.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.62 -179.612 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -61.73 -40.0 93.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.058 -1.026 . . . . 0.0 109.484 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.01 -40.06 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.421 -0.799 . . . . 0.0 109.311 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -59.97 -48.07 83.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.886 . . . . 0.0 110.448 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -47.76 89.42 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.409 -179.186 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.925 -1.338 . . . . 0.0 109.343 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.3 -39.99 92.49 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.286 -0.884 . . . . 0.0 109.1 179.101 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.61 HD21 HD21 ' A' ' 82' ' ' ASN . 44.1 t-20 -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.99 -40.07 87.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.838 -1.164 . . . . 0.0 108.388 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -40.05 87.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.257 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -60.12 -41.14 91.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.69 -1.256 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.621 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 49.6 mtt-85 -62.4 -39.94 94.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 0.0 108.314 178.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.08 -42.74 94.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.65 -0.656 . . . . 0.0 109.909 -179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.88 -1.138 . . . . 0.0 110.058 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.47 98.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.163 . . . . 0.0 108.086 179.062 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.43 -39.69 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.881 -0.512 . . . . 0.0 109.869 179.23 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.97 -40.36 88.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.158 -0.964 . . . . 0.0 109.122 -178.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.63 -42.49 99.62 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 109.684 179.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.7 m-85 -69.18 -38.21 78.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.31 -0.869 . . . . 0.0 109.691 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.424 ' CD2' HE22 ' B' ' 52' ' ' GLN . 50.0 mt -60.0 -40.05 87.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.978 -1.076 . . . . 0.0 109.176 179.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -63.44 -40.0 95.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.121 . . . . 0.0 108.759 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 0.0 109.097 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.424 HE22 ' CD2' ' A' ' 49' ' ' LEU . 37.7 mt-30 -60.56 -39.92 89.73 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.897 -1.127 . . . . 0.0 109.3 179.117 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.32 -32.45 64.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.968 -1.082 . . . . 0.0 108.233 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.594 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.066 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.58 125.67 35.31 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.88 108.97 15.82 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.1 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.5 mt -82.21 136.85 35.03 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.374 0.607 . . . . 0.0 109.947 -178.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.65 HG23 ' O ' ' C' ' 78' ' ' THR . 15.2 t -90.58 112.75 54.83 Favored Pre-proline 0 N--CA 1.494 1.768 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -94.68 -47.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 121.65 1.567 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -119.97 -46.43 2.43 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.253 -0.904 . . . . 0.0 112.99 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -60.04 -56.22 24.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.339 -1.476 . . . . 0.0 112.502 -176.264 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.682 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 20.9 t-20 -76.33 -37.83 56.8 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.077 -1.64 . . . . 0.0 109.856 -179.021 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -59.98 -44.23 94.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.222 -0.924 . . . . 0.0 109.085 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -46.0 90.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.102 -0.999 . . . . 0.0 108.503 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.7 p -67.25 -40.02 86.2 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.0 108.981 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 38.1 t-105 -62.65 -39.92 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.091 -1.005 . . . . 0.0 109.561 -179.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.12 -40.64 90.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.587 -1.32 . . . . 0.0 108.447 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.68 -39.85 92.9 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.428 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 54.5 t90 -60.1 -48.62 80.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -41.05 98.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.037 -1.039 . . . . 0.0 109.567 179.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -63.1 -41.83 99.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 110.539 -179.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.92 -43.49 98.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.866 -1.146 . . . . 0.0 109.743 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.61 -40.54 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.01 -40.02 91.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.147 -0.97 . . . . 0.0 111.162 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.96 -39.97 79.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.638 -1.289 . . . . 0.0 109.59 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.13 -0.981 . . . . 0.0 109.657 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.98 -40.43 96.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 110.201 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.985 -1.072 . . . . 0.0 109.479 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.83 -40.83 95.83 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.206 -0.934 . . . . 0.0 109.328 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.56 -46.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.25 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.1 p -60.03 -42.34 94.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.218 -0.926 . . . . 0.0 109.972 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.45 96.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.058 -1.026 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.27 -40.43 93.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.222 -0.924 . . . . 0.0 109.63 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.56 -40.79 97.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.068 -1.02 . . . . 0.0 109.222 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.02 -48.14 82.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.156 -0.965 . . . . 0.0 109.302 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.6 -41.55 97.61 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.178 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.2 83.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.557 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -59.94 -45.23 93.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.16 -45.44 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 109.207 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -69.44 -39.98 77.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.17 -49.96 75.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.994 -1.066 . . . . 0.0 109.783 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.17 -42.93 96.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.05 -41.85 97.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.286 -0.884 . . . . 0.0 109.799 -179.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -63.67 -44.85 92.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.98 -1.075 . . . . 0.0 109.259 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.487 1.414 0 O-C-N 121.348 -0.845 . . . . 0.0 108.729 179.453 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -62.64 -39.98 95.56 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 108.753 179.421 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.5 t -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.425 -0.797 . . . . 0.0 109.74 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.47 ' N ' HG23 ' A' ' 5' ' ' THR . 58.6 tp -59.98 -45.83 91.44 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.394 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.55 -40.02 93.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.17 88.15 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.84 63.89 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.95 -47.66 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -1.081 . . . . 0.0 109.317 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.0 108.916 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.72 -39.96 90.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 109.892 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.05 -40.96 91.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.084 -1.01 . . . . 0.0 109.103 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.62 -40.06 90.5 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.141 -0.974 . . . . 0.0 109.04 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.94 -44.24 94.5 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.094 -1.003 . . . . 0.0 108.986 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.34 -42.87 96.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.164 -0.96 . . . . 0.0 109.265 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.28 -42.08 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.196 -0.94 . . . . 0.0 109.095 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.09 -43.78 95.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.402 -0.811 . . . . 0.0 109.273 179.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.11 -47.97 83.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.302 -0.873 . . . . 0.0 110.016 -179.322 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.99 -40.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.314 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -44.92 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.935 . . . . 0.0 109.064 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -41.55 92.41 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.502 -0.749 . . . . 0.0 109.036 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 52.3 mtt-85 -60.88 -40.01 91.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.729 -179.598 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.14 -40.03 88.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.176 -0.952 . . . . 0.0 109.142 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.964 . . . . 0.0 108.899 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.44 -42.33 95.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 0.0 109.161 179.623 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 HD13 ' B' ' 28' ' ' LEU . 23.8 tp -61.19 -41.85 97.54 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.358 -0.839 . . . . 0.0 109.023 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 HD23 ' C' ' 27' ' ' LEU . 23.1 mt -60.06 -40.4 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.422 -0.799 . . . . 0.0 109.587 179.654 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.97 -40.1 87.92 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.069 -1.019 . . . . 0.0 109.143 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.9 mt -61.5 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.983 -1.073 . . . . 0.0 109.602 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.2 p -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.098 -1.001 . . . . 0.0 109.418 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.35 -40.23 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.02 -41.2 91.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -48.38 86.35 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.118 -1.225 . . . . 0.0 109.878 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.945 . . . . 0.0 109.917 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.459 HD21 HH21 ' A' ' 41' ' ' ARG . 48.1 t-20 -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.163 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.87 -40.09 91.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.955 -1.091 . . . . 0.0 109.447 179.56 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -59.97 -40.83 90.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 43' ' ' THR . 72.7 p -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 39.2 mtt-85 -67.84 -39.18 83.89 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.108 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -41.99 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.088 -1.008 . . . . 0.0 108.496 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 40' ' ' THR . 82.0 p -60.14 -40.26 89.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.007 -1.058 . . . . 0.0 108.845 179.252 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.98 97.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.282 -1.511 . . . . 0.0 108.804 178.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.61 -40.0 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.535 -0.728 . . . . 0.0 110.247 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.843 -1.161 . . . . 0.0 109.541 -179.118 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.28 -39.99 96.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.711 -1.243 . . . . 0.0 109.677 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.7 m-85 -69.21 -40.04 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.549 -1.344 . . . . 0.0 108.789 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.54 -40.01 89.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.938 -1.101 . . . . 0.0 108.74 178.524 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.55 86.2 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.765 HE22 HD21 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.3 -40.01 84.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.099 -1.0 . . . . 0.0 108.643 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.93 77.57 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.835 -1.166 . . . . 0.0 108.208 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.09 179.698 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.725 HD21 HE22 ' C' ' 52' ' ' GLN . 6.7 t-20 . . . . . 0 N--CA 1.5 2.053 0 CA-C-O 121.418 0.628 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.29 126.66 35.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 108.645 179.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.28 110.32 15.61 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.82 135.17 36.41 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.675 0.75 . . . . 0.0 109.795 -178.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 78' ' ' THR . 5.3 t -92.23 113.86 60.47 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -90.26 -48.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.153 0 C-N-CA 121.655 1.57 . . . . 0.0 113.946 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.89 2.3 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -177.063 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -60.03 -47.83 84.22 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.288 -1.508 . . . . 0.0 112.611 -175.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.4 t30 -70.39 -44.87 67.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 119.89 -1.756 . . . . 0.0 110.04 -179.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.47 ' ND2' ' NE2' ' A' ' 87' ' ' GLN . 2.0 t-20 -60.13 -49.94 75.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 110.765 -178.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -64.89 -41.95 95.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.741 -1.225 . . . . 0.0 109.927 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -70.04 -40.02 75.4 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.114 -0.992 . . . . 0.0 109.692 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.437 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 39.9 t-105 -68.34 -39.98 81.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.398 -179.463 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.47 ' NE2' ' ND2' ' A' ' 83' ' ' ASN . 44.9 mt-30 -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.746 -1.221 . . . . 0.0 108.457 179.307 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -42.95 95.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.3 t90 -59.97 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.44 -0.787 . . . . 0.0 109.157 179.082 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.14 -41.62 98.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.352 -0.842 . . . . 0.0 109.277 179.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.26 -42.94 96.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 110.505 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.48 94.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.674 -1.266 . . . . 0.0 109.14 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.99 -40.97 89.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.284 -0.885 . . . . 0.0 108.831 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.01 -48.18 82.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.44 -0.788 . . . . 0.0 110.021 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -60.46 -47.58 85.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.938 -1.101 . . . . 0.0 109.632 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.59 -42.07 98.33 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.26 -0.9 . . . . 0.0 109.319 -179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.99 -46.11 92.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.53 -41.9 96.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.987 -179.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.464 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 47.0 t-20 -66.17 -40.03 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.662 -179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.18 -40.13 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 0.0 109.587 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -60.95 -40.62 94.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.01 75.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.346 -0.846 . . . . 0.0 109.783 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.09 -42.35 99.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -49.98 75.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 108.862 179.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -48.53 81.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.365 -0.834 . . . . 0.0 109.116 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.99 -40.98 95.54 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.304 -0.872 . . . . 0.0 109.353 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.43 97.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 109.719 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.07 -47.32 86.36 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.152 -0.968 . . . . 0.0 109.135 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.53 -50.01 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.008 . . . . 0.0 109.134 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.15 -40.14 96.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.497 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.95 -49.0 79.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.741 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -40.04 94.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 109.677 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -62.38 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.08 -1.012 . . . . 0.0 109.75 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.43 -43.48 98.79 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.091 -1.005 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.834 . . . . 0.0 109.704 179.89 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -63.11 -40.03 96.43 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.466 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -59.99 -40.9 90.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.431 -0.793 . . . . 0.0 109.754 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.466 ' N ' HG23 ' B' ' 5' ' ' THR . 59.3 tp -59.93 -46.22 90.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.401 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.15 -39.95 92.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.663 -0.648 . . . . 0.0 109.328 178.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.02 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -47.12 65.28 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 178.761 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.93 -47.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.288 -1.125 . . . . 0.0 109.234 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.8 t -59.94 -47.3 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.049 -1.032 . . . . 0.0 109.254 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.79 -40.03 91.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.89 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.0 -41.0 91.16 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.0 109.242 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.41 -40.11 89.82 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.005 -1.059 . . . . 0.0 109.079 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.02 -43.85 94.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.331 -0.856 . . . . 0.0 109.019 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -42.55 98.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.167 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.6 -42.08 99.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.96 . . . . 0.0 109.098 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.0 tp -60.05 -43.71 95.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.0 109.133 179.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.94 -47.94 83.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.04 -40.03 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -44.94 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.152 -0.967 . . . . 0.0 109.081 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -41.49 92.56 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.486 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 50.4 mtt-85 -61.1 -40.07 92.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.632 -0.668 . . . . 0.0 109.548 -179.559 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.145 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.02 -49.77 76.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -42.29 97.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.011 -1.056 . . . . 0.0 108.953 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.19 -41.62 97.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.437 -0.79 . . . . 0.0 109.052 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.43 HD13 HD23 ' A' ' 27' ' ' LEU . 21.6 mt -60.34 -40.02 89.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 109.554 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.11 89.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.149 -0.969 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.465 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.6 mt -61.55 -41.87 98.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.882 . . . . 0.0 109.562 179.517 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -63.03 -40.05 96.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.229 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -40.0 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.301 -0.875 . . . . 0.0 108.835 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.441 -0.787 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.77 -48.31 86.7 Favored Glycine 0 N--CA 1.487 2.077 0 C-N-CA 119.422 -1.37 . . . . 0.0 109.714 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.05 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.057 -1.261 . . . . 0.0 109.944 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.15 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.456 HD21 HH21 ' B' ' 41' ' ' ARG . 47.9 t-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.985 . . . . 0.0 109.154 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.05 -40.01 92.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.026 -1.046 . . . . 0.0 109.554 179.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.02 -40.84 90.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.025 . . . . 0.0 109.858 -179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.3 p -60.11 -40.0 88.14 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.509 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 39.5 mtt-85 -67.76 -39.1 84.18 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -42.04 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.065 -1.022 . . . . 0.0 108.44 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 82.5 p -60.02 -40.24 88.6 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.942 -1.099 . . . . 0.0 108.907 179.132 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.52 98.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.38 -1.45 . . . . 0.0 108.689 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.01 -39.96 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.51 -0.744 . . . . 0.0 110.338 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.91 -1.119 . . . . 0.0 109.489 -179.13 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.31 -39.99 96.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.774 -1.204 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.07 -39.97 78.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.685 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.0 -40.56 89.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.673 -1.267 . . . . 0.0 108.755 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.33 -40.09 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.042 -1.036 . . . . 0.0 108.679 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.96 -39.63 86.27 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.742 HE22 HD21 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.32 -39.73 84.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.096 -1.002 . . . . 0.0 108.637 -179.841 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.95 78.7 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.816 -1.178 . . . . 0.0 108.217 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.971 . . . . 0.0 108.975 179.788 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.765 HD21 HE22 ' A' ' 52' ' ' GLN . 6.6 t-20 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 121.421 0.629 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.86 36.04 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.199 -0.938 . . . . 0.0 108.59 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.51 110.35 15.89 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -80.11 134.89 36.22 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.695 0.759 . . . . 0.0 109.783 -178.197 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.557 ' O ' HG23 ' B' ' 78' ' ' THR . 5.7 t -91.9 113.8 60.03 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.773 . . . . 0.0 108.977 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -90.21 -48.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.599 1.533 . . . . 0.0 113.863 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.39 -43.65 2.29 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -47.89 83.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.251 -1.531 . . . . 0.0 112.569 -175.686 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.4 t30 -70.31 -44.79 67.55 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.02 -1.675 . . . . 0.0 110.163 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.465 ' ND2' ' NE2' ' B' ' 87' ' ' GLN . 2.0 t-20 -60.25 -49.93 75.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.154 -0.966 . . . . 0.0 110.82 -178.893 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.86 -41.92 95.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.875 -1.141 . . . . 0.0 110.043 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -70.1 -40.01 75.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.163 -0.96 . . . . 0.0 109.656 179.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.447 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 40.2 t-105 -68.37 -39.99 81.58 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.01 -1.056 . . . . 0.0 109.341 -179.406 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . 0.465 ' NE2' ' ND2' ' B' ' 83' ' ' ASN . 45.1 mt-30 -60.02 -41.09 91.45 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.81 -1.181 . . . . 0.0 108.425 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.38 -42.66 96.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.447 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 55.8 t90 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.122 179.025 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 -41.67 98.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.342 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -60.23 -42.81 95.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.274 -0.891 . . . . 0.0 110.518 -179.698 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.77 95.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.061 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.328 -0.857 . . . . 0.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.1 -48.46 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -60.58 -47.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.104 -0.997 . . . . 0.0 109.776 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.88 -42.27 98.86 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.139 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.352 -0.843 . . . . 0.0 109.545 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.68 -41.41 96.08 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 110.067 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 47.2 t-20 -66.23 -40.0 89.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 0.0 109.708 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.32 -40.0 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.06 -1.025 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -61.01 -41.14 95.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.98 75.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.393 -0.817 . . . . 0.0 109.852 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.441 HD11 ' HE ' ' A' ' 23' ' ' ARG . 82.8 mt -62.1 -42.5 99.28 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.016 -1.052 . . . . 0.0 108.914 -179.533 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.962 . . . . 0.0 108.886 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -48.77 80.34 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.3 -0.875 . . . . 0.0 109.061 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.7 -40.84 93.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 0.0 109.479 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.3 98.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.95 -47.88 83.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -50.06 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 109.345 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.29 -40.01 96.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -59.94 -49.04 79.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 109.605 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.51 -40.05 94.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.96 -40.04 94.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 109.868 179.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.44 -43.83 98.19 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.219 -0.926 . . . . 0.0 109.155 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.911 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -62.92 -39.97 96.18 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.474 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.4 t -60.06 -41.08 91.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.453 -0.779 . . . . 0.0 109.699 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.474 ' N ' HG23 ' C' ' 5' ' ' THR . 58.2 tp -60.03 -45.77 91.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.921 -1.112 . . . . 0.0 108.093 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.36 -40.04 92.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.598 -0.688 . . . . 0.0 109.286 178.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.16 88.14 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.81 -47.29 61.8 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 178.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -47.4 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.305 -1.115 . . . . 0.0 109.209 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.06 -47.54 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.46 -40.02 89.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 0.0 109.888 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -40.81 90.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.97 -1.081 . . . . 0.0 109.247 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.53 -40.21 90.68 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.024 -1.047 . . . . 0.0 109.177 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -44.12 94.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.33 -0.856 . . . . 0.0 108.954 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.61 -42.74 97.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.205 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.46 -42.05 99.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.0 109.118 179.293 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.172 179.298 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.02 -47.94 83.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.316 -0.865 . . . . 0.0 110.185 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.06 -40.07 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.002 -1.061 . . . . 0.0 109.457 -179.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.93 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.159 -0.963 . . . . 0.0 108.999 179.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.07 -41.58 92.68 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.389 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.464 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 51.7 mtt-85 -60.9 -39.94 91.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.59 -0.693 . . . . 0.0 109.671 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.17 -39.97 88.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.874 . . . . 0.0 109.349 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.93 -49.87 75.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.975 . . . . 0.0 108.924 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.71 -42.34 97.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 108.936 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.426 HD23 HD13 ' A' ' 28' ' ' LEU . 23.9 tp -61.22 -41.67 97.26 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.345 -0.847 . . . . 0.0 109.085 179.543 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.31 -40.27 89.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.576 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.05 -40.12 88.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.091 -1.006 . . . . 0.0 109.091 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -61.62 -41.87 98.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.562 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -63.0 -40.03 96.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.0 109.453 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.51 -40.05 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -59.87 -41.17 90.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.704 . . . . 0.0 110.276 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.4 86.27 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.01 -49.92 75.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.23 -1.159 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 110.227 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.442 HD21 HH21 ' C' ' 41' ' ' ARG . 47.7 t-20 -59.96 -40.07 87.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.124 -0.985 . . . . 0.0 109.106 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.92 -40.1 91.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.075 -1.016 . . . . 0.0 109.63 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.95 -40.84 90.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.115 -0.991 . . . . 0.0 109.9 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 68.5 p -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 39.8 mtt-85 -67.85 -38.99 83.85 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -42.11 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.065 -1.022 . . . . 0.0 108.615 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 82.7 p -60.07 -39.96 87.83 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.18 -0.95 . . . . 0.0 108.83 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.04 97.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.358 -1.464 . . . . 0.0 108.648 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.45 -40.0 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.52 -0.737 . . . . 0.0 110.274 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.99 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.847 -1.158 . . . . 0.0 109.501 -179.169 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.25 -40.11 96.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.737 -1.227 . . . . 0.0 109.667 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 58.7 m-85 -69.09 -39.98 78.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.58 -1.325 . . . . 0.0 108.786 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.96 -39.99 91.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.942 -1.099 . . . . 0.0 108.686 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.38 85.58 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.725 HE22 HD21 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.5 -40.0 85.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.84 77.12 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.744 -1.222 . . . . 0.0 108.265 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.772 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.742 HD21 HE22 ' B' ' 52' ' ' GLN . 6.7 t-20 . . . . . 0 N--CA 1.5 2.049 0 CA-C-O 121.36 0.6 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.58 35.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.891 . . . . 0.0 108.839 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -80.29 110.01 15.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 mt -79.66 134.92 36.44 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.671 0.748 . . . . 0.0 109.76 -178.323 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.543 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -92.11 113.92 60.56 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.21 -48.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.53 1.487 . . . . 0.0 114.002 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.67 2.31 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -177.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.91 -48.2 82.67 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.353 -1.467 . . . . 0.0 112.592 -175.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.5 t30 -70.06 -44.98 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.98 -1.7 . . . . 0.0 110.18 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . 0.467 ' ND2' ' NE2' ' C' ' 87' ' ' GLN . 2.0 t-20 -60.03 -50.01 75.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.205 -0.935 . . . . 0.0 110.571 -178.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.88 -41.76 95.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.805 -1.184 . . . . 0.0 110.129 -179.178 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 42.4 p -70.17 -40.05 74.92 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.189 -0.945 . . . . 0.0 109.537 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.442 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.0 t-105 -68.33 -40.04 81.76 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.42 -179.298 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . 0.467 ' NE2' ' ND2' ' C' ' 83' ' ' ASN . 45.1 mt-30 -60.0 -41.24 91.66 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.702 -1.248 . . . . 0.0 108.38 179.258 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.465 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.0 t90 -59.94 -50.05 75.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.465 -0.772 . . . . 0.0 109.089 179.064 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.43 -41.34 98.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.344 -0.848 . . . . 0.0 109.271 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.69 -42.84 97.94 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 110.444 -179.706 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -59.97 -42.5 94.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.043 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.8 -41.28 90.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.276 -0.89 . . . . 0.0 108.835 179.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.95 -48.2 82.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.344 -0.848 . . . . 0.0 109.871 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.59 -47.34 86.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.962 -1.086 . . . . 0.0 109.715 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.44 -42.53 98.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.187 -0.945 . . . . 0.0 109.243 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 -46.25 90.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 0.0 109.615 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -41.73 95.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.942 -179.167 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.486 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 47.0 t-20 -66.13 -39.92 90.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 0.0 109.641 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.3 -40.13 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.014 -1.054 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -60.99 -41.24 96.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.457 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.02 75.33 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.285 -0.885 . . . . 0.0 109.941 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.426 HD11 ' HE ' ' B' ' 23' ' ' ARG . 82.5 mt -62.02 -42.35 99.07 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.026 -1.046 . . . . 0.0 108.92 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.0 -49.92 75.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.023 179.278 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -48.69 80.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.001 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.69 -41.13 94.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.292 -0.88 . . . . 0.0 109.386 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.659 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.03 -47.82 84.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.156 -0.965 . . . . 0.0 109.187 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.13 -49.98 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.0 109.367 179.192 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -60.02 -48.99 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.412 -0.805 . . . . 0.0 109.599 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.64 -40.0 94.69 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.99 -40.29 95.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.988 -1.07 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.22 -43.63 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.196 -0.94 . . . . 0.0 109.347 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.488 1.45 0 O-C-N 121.24 -0.912 . . . . 0.0 109.552 179.864 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.39 145.03 32.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.342 -0.849 . . . . 0.0 109.714 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -89.63 61.44 5.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.79 HH12 ' H ' ' A' ' 122' ' ' ASN . 42.7 mtp180 -62.36 -40.0 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.404 -0.81 . . . . 0.0 109.836 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.06 -45.49 92.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.011 -1.056 . . . . 0.0 108.768 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' N ' HG23 ' A' ' 5' ' ' THR . 59.6 tp -61.84 -44.43 96.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.064 -1.023 . . . . 0.0 108.783 178.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.32 -39.97 96.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.566 -0.708 . . . . 0.0 109.603 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.48 89.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.071 -1.018 . . . . 0.0 108.349 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.514 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -67.4 -48.31 58.47 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 178.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.04 -49.0 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.337 -1.096 . . . . 0.0 109.106 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -45.87 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.68 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.45 -40.37 96.38 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 109.9 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.04 -41.23 91.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 109.375 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.23 -41.52 93.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.075 -1.015 . . . . 0.0 109.236 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.46 -44.06 96.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.164 -0.96 . . . . 0.0 109.249 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.61 -40.74 95.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.14 -0.975 . . . . 0.0 109.048 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.99 -40.54 95.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -0.865 . . . . 0.0 109.008 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.97 -44.37 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.0 -48.7 80.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.983 -179.45 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.07 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.95 -1.094 . . . . 0.0 108.919 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.09 -49.49 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -0.938 . . . . 0.0 108.517 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -61.02 -40.5 93.79 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -60.47 -39.94 89.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.663 -0.648 . . . . 0.0 109.759 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.08 -40.0 88.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 109.165 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.96 -44.8 94.19 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.085 -1.01 . . . . 0.0 108.993 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.87 -44.75 96.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.978 -1.076 . . . . 0.0 109.037 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.47 -41.61 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 0.0 109.501 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.99 -40.22 88.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 109.831 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.29 -40.7 91.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.198 -0.939 . . . . 0.0 109.426 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.6 mt -61.79 -41.36 97.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.073 -1.017 . . . . 0.0 109.521 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -63.51 -40.1 96.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.06 -40.13 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.333 -0.854 . . . . 0.0 108.919 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -59.98 -43.37 95.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.41 -0.806 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.24 86.93 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.127 -1.219 . . . . 0.0 110.235 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -60.6 -39.97 90.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.089 -1.007 . . . . 0.0 110.66 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.73 HD21 HH21 ' A' ' 41' ' ' ARG . 42.4 t30 -60.0 -40.73 90.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.95 -1.094 . . . . 0.0 109.547 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.42 -39.95 89.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.073 -1.017 . . . . 0.0 109.164 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.06 -41.6 92.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.308 -0.87 . . . . 0.0 109.768 -179.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -60.08 -40.92 91.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.89 -1.131 . . . . 0.0 108.643 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.73 HH21 HD21 ' A' ' 37' ' ' ASN . 87.0 mtt180 -66.19 -40.0 90.09 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.112 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -40.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.385 -0.822 . . . . 0.0 109.378 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.0 p -60.04 -39.98 87.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.044 -1.035 . . . . 0.0 109.006 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.04 82.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.814 -1.179 . . . . 0.0 109.72 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.53 -41.6 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.071 -1.018 . . . . 0.0 111.053 -179.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.25 -40.01 94.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.569 -1.332 . . . . 0.0 108.532 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.98 -45.49 92.55 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.195 179.106 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.6 m-85 -62.48 -39.93 95.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 0.0 109.615 178.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.66 -39.18 83.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.949 -1.094 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -39.89 87.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.871 -1.143 . . . . 0.0 108.83 178.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.03 -39.12 84.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.209 -0.932 . . . . 0.0 109.273 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.637 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 2.2 mp0 -59.92 -39.81 86.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.0 109.082 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.89 80.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.849 -1.157 . . . . 0.0 108.266 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.229 -0.92 . . . . 0.0 109.079 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.57 116.16 8.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.797 -1.19 . . . . 0.0 108.075 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.712 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.1 m-80 -133.75 -57.2 0.88 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.444 -0.785 . . . . 0.0 110.758 -178.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.871 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.39 115.37 4.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.058 -1.026 . . . . 0.0 110.503 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.82 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 74.9 m95 -101.71 129.13 47.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.507 -0.746 . . . . 0.0 109.42 178.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 68.72 17.84 71.57 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.128 -1.034 . . . . 0.0 110.709 178.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.21 24.45 0.13 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.679 -1.483 . . . . 0.0 109.262 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.16 111.38 2.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.242 179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 32.2 m-85 -120.19 11.27 11.55 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.435 -0.791 . . . . 0.0 110.245 179.169 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -142.68 24.55 1.87 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.0 mt-30 -144.92 152.12 39.73 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -104.21 58.02 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.502 -0.749 . . . . 0.0 109.85 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.71 133.19 46.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.085 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 68' ' ' THR . 7.7 t -92.75 114.77 27.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.851 -1.156 . . . . 0.0 109.824 -178.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 69' ' ' THR . 11.8 t -109.91 120.33 42.13 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.705 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.712 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 98.4 t -121.62 83.81 42.16 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 121.496 -0.752 . . . . 0.0 109.046 -179.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.07 63.65 7.0 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.562 2.175 . . . . 0.0 111.266 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.7 t90 -68.93 136.81 89.76 Favored Pre-proline 0 C--N 1.303 -1.433 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 90.8 Cg_exo -39.91 149.53 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.122 0 C-N-CA 121.4 1.4 . . . . 0.0 111.165 179.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.636 ' ND2' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -128.86 -58.87 1.14 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.337 -0.852 . . . . 0.0 108.926 -179.621 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.18 127.75 40.2 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 p -79.95 110.25 15.15 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.852 -1.155 . . . . 0.0 107.922 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.2 mt -78.8 135.76 37.17 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.722 0.772 . . . . 0.0 109.743 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 78' ' ' THR . 9.3 t -91.43 116.08 65.72 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.689 -0.632 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.87 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.176 0 C-N-CA 121.533 1.489 . . . . 0.0 114.274 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.33 -42.17 2.37 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.72 ' HE1' ' ND2' ' A' ' 82' ' ' ASN . 4.2 p90 -59.8 -49.17 78.75 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.332 -1.48 . . . . 0.0 113.098 -175.313 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.72 ' ND2' ' HE1' ' A' ' 81' ' ' TRP . 83.8 m-20 -72.99 -45.72 56.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 119.853 -1.78 . . . . 0.0 110.628 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.897 -1.127 . . . . 0.0 110.993 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.28 -42.25 88.71 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.699 -1.25 . . . . 0.0 109.63 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 81' ' ' TRP . 77.5 p -70.04 -40.0 75.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.218 -0.926 . . . . 0.0 110.117 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.408 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 27.9 t-105 -68.85 -40.19 79.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.472 -179.073 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.16 -42.46 94.97 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.425 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.08 -41.34 98.07 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.163 -0.961 . . . . 0.0 108.914 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.472 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 55.9 t90 -60.03 -49.99 75.5 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.379 -0.825 . . . . 0.0 109.513 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.07 -40.03 96.46 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.333 -0.854 . . . . 0.0 109.454 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.48 -41.92 99.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.291 -0.88 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -60.02 -43.37 95.3 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 118.752 -1.179 . . . . 0.0 108.703 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.19 -41.79 90.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -60.0 -43.53 95.14 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.983 . . . . 0.0 110.426 -179.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.14 -40.06 78.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.759 -1.213 . . . . 0.0 108.915 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.53 -43.74 93.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.399 -0.813 . . . . 0.0 109.704 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.55 -43.76 96.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.748 -1.22 . . . . 0.0 109.573 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.32 -40.18 93.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.832 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -64.95 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.432 -0.793 . . . . 0.0 109.873 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.19 -40.24 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.063 -1.023 . . . . 0.0 109.739 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -62.06 -40.66 96.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.071 -1.018 . . . . 0.0 109.287 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.38 82.01 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.236 -0.915 . . . . 0.0 109.753 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.54 -39.93 94.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.16 -0.962 . . . . 0.0 109.7 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.61 -41.92 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.037 -1.04 . . . . 0.0 109.059 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.14 -45.59 94.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.602 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.33 -39.99 89.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -0.856 . . . . 0.0 108.999 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.97 97.85 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.399 -0.813 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -49.75 76.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.044 -1.035 . . . . 0.0 109.207 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.07 -50.03 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.872 . . . . 0.0 109.039 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.5 tt0 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.454 -0.779 . . . . 0.0 109.923 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.02 -46.58 89.01 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.821 -179.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -39.98 92.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.03 -1.044 . . . . 0.0 109.493 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -65.91 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.111 -0.993 . . . . 0.0 110.222 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.42 -41.53 98.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.811 -1.181 . . . . 0.0 109.842 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.75 -39.95 80.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.328 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.65 -41.65 95.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.25 -0.906 . . . . 0.0 108.955 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.477 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 53.9 tp -59.97 -40.91 90.69 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.74 -39.53 94.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.473 -0.767 . . . . 0.0 109.421 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.91 -35.45 74.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.409 -0.807 . . . . 0.0 109.994 -178.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 121' ' ' LEU . 86.3 mt -56.26 -47.81 77.81 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.851 -1.155 . . . . 0.0 108.39 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.79 ' H ' HH12 ' A' ' 4' ' ' ARG . 51.1 t30 -129.46 61.5 1.55 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.274 -0.891 . . . . 0.0 108.799 178.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.125 179.757 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.357 0.599 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.36 145.18 32.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.351 -0.843 . . . . 0.0 109.687 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -89.64 61.44 5.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.254 -0.904 . . . . 0.0 109.019 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.787 HH12 ' H ' ' B' ' 122' ' ' ASN . 42.9 mtp180 -62.37 -40.05 95.17 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.557 -0.714 . . . . 0.0 109.892 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.564 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.3 t -60.02 -45.59 92.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.023 -1.048 . . . . 0.0 108.79 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.564 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -61.78 -43.93 97.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 108.915 178.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.85 -39.96 95.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.519 -0.738 . . . . 0.0 109.526 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.118 -0.989 . . . . 0.0 108.453 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.518 ' O ' ' NE2' ' C' ' 110' ' ' GLN . . . -67.91 -48.23 55.8 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 178.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -49.17 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.321 -1.105 . . . . 0.0 109.133 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.07 -45.71 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.004 -1.06 . . . . 0.0 108.678 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.53 -40.34 96.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.276 -0.89 . . . . 0.0 109.934 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.99 -41.49 92.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.125 -0.984 . . . . 0.0 109.308 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.05 -41.9 93.29 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.251 -0.906 . . . . 0.0 109.288 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.19 -41.04 96.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.104 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -40.65 95.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.051 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.99 -44.31 94.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.08 -48.68 80.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.439 -0.788 . . . . 0.0 109.923 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.99 -40.74 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 0.0 108.972 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.48 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 108.534 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.09 -40.4 93.58 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.41 -40.07 89.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.642 -0.661 . . . . 0.0 109.722 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.107 -0.996 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.96 -44.87 94.16 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.196 -0.94 . . . . 0.0 108.883 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.85 -44.76 96.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.965 -1.084 . . . . 0.0 109.137 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.47 -41.69 94.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.477 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.99 -40.27 88.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.786 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.09 -40.84 91.01 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.16 -0.962 . . . . 0.0 109.42 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -61.59 -41.68 97.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.047 -1.033 . . . . 0.0 109.558 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -63.39 -40.0 96.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.937 . . . . 0.0 109.429 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.0 t -61.08 -40.04 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.159 -0.963 . . . . 0.0 108.947 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -59.99 -43.26 95.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -0.822 . . . . 0.0 110.197 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.64 -47.93 88.53 Favored Glycine 0 N--CA 1.485 1.95 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.11 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.112 . . . . 0.0 110.217 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.52 -40.05 90.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.981 -1.074 . . . . 0.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.721 HD21 HH21 ' B' ' 41' ' ' ARG . 42.2 t30 -59.97 -40.65 89.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.862 -1.149 . . . . 0.0 109.534 -179.647 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.53 -39.93 89.64 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -41.46 92.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 0.0 109.699 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' B' ' 43' ' ' THR . 70.3 p -60.11 -41.15 91.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.009 -1.057 . . . . 0.0 108.586 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.721 HH21 HD21 ' B' ' 37' ' ' ASN . 87.1 mtt180 -66.06 -40.04 90.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.042 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.351 -0.843 . . . . 0.0 109.399 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 40' ' ' THR . 68.1 p -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.047 . . . . 0.0 108.957 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.12 83.06 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.81 -1.181 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.54 -41.61 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.996 -1.065 . . . . 0.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.23 -39.92 94.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.53 -1.357 . . . . 0.0 108.529 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.07 -45.53 92.58 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.196 179.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.543 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 35.7 m-85 -62.35 -39.94 94.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.66 -39.35 84.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.873 -1.142 . . . . 0.0 108.868 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.921 -1.112 . . . . 0.0 108.743 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.01 -39.07 84.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.657 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 2.1 mp0 -59.91 -40.05 87.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.098 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.81 79.87 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.836 -1.165 . . . . 0.0 108.254 179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 0.0 109.093 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -68.57 116.15 8.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.857 -1.152 . . . . 0.0 107.984 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.714 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 71.1 m-80 -133.66 -56.98 0.89 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.311 -0.868 . . . . 0.0 110.717 -178.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.82 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.68 115.29 3.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.0 -1.063 . . . . 0.0 110.578 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.843 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 73.9 m95 -101.68 129.06 47.74 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.533 -0.73 . . . . 0.0 109.379 179.187 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 68.82 17.75 71.68 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.019 -1.086 . . . . 0.0 110.761 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -76.23 24.38 0.14 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.647 -1.502 . . . . 0.0 109.309 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.29 111.42 2.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.311 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.483 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 32.1 m-85 -120.26 11.27 11.5 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.331 -0.856 . . . . 0.0 110.238 179.202 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.47 24.55 1.91 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.3 mt-30 -145.11 152.05 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.537 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -104.05 57.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.135 -0.978 . . . . 0.0 108.418 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.59 157.68 42.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 0.0 109.91 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.73 133.31 46.96 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.533 HG23 ' O ' ' B' ' 68' ' ' THR . 7.3 t -93.06 114.77 27.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.866 -1.146 . . . . 0.0 109.604 -178.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.572 ' O ' HG23 ' B' ' 69' ' ' THR . 11.8 t -109.92 120.36 42.23 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.714 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 96.4 t -121.72 83.81 42.76 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.527 -0.733 . . . . 0.0 109.096 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.23 63.9 6.89 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.517 2.145 . . . . 0.0 111.254 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 30.2 t90 -69.01 136.56 89.57 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.419 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 89.4 Cg_exo -39.94 149.63 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.107 0 C-N-CA 121.437 1.425 . . . . 0.0 111.126 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.637 ' ND2' ' NE2' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -128.77 -59.03 1.15 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -0.802 . . . . 0.0 108.904 -179.545 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.98 127.77 39.94 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 10.3 p -80.16 110.37 15.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.3 mt -78.98 135.94 37.07 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.707 0.765 . . . . 0.0 109.78 -178.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.614 ' O ' HG23 ' B' ' 78' ' ' THR . 8.9 t -91.43 115.99 65.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -89.82 -47.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.405 1.403 . . . . 0.0 114.211 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.47 -42.23 2.35 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -176.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.736 ' HE1' ' ND2' ' B' ' 82' ' ' ASN . 4.2 p90 -59.78 -49.1 79.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.305 -1.497 . . . . 0.0 113.016 -175.251 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.736 ' ND2' ' HE1' ' B' ' 81' ' ' TRP . 84.2 m-20 -73.07 -45.68 55.95 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.778 -1.827 . . . . 0.0 110.6 -179.342 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.881 -1.137 . . . . 0.0 110.98 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.745 -1.222 . . . . 0.0 109.7 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 81' ' ' TRP . 75.1 p -70.16 -40.02 74.97 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.213 -0.929 . . . . 0.0 110.096 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.419 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 28.1 t-105 -69.0 -39.96 79.03 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 118.652 -1.219 . . . . 0.0 109.478 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.52 -42.38 96.33 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.706 -1.197 . . . . 0.0 108.405 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.01 -41.5 98.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.262 -0.899 . . . . 0.0 108.794 178.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.471 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 55.7 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.525 -0.735 . . . . 0.0 109.411 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.96 -39.99 96.35 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.259 -0.901 . . . . 0.0 109.547 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -62.64 -41.73 99.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 110.354 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.94 -43.66 94.83 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.784 -1.198 . . . . 0.0 108.657 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.86 -42.04 91.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.358 -0.839 . . . . 0.0 109.032 178.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 62.2 t0 -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.975 . . . . 0.0 110.55 -179.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 -39.97 78.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.678 -1.264 . . . . 0.0 109.01 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.51 -43.67 93.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.424 -0.798 . . . . 0.0 109.59 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -44.26 96.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.885 -1.134 . . . . 0.0 109.497 179.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.88 -40.19 92.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.295 -0.878 . . . . 0.0 109.368 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.365 -0.834 . . . . 0.0 109.945 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.14 -40.31 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.101 -1.0 . . . . 0.0 109.689 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.5 -40.22 96.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.943 -1.098 . . . . 0.0 109.272 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.51 81.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.3 -0.875 . . . . 0.0 109.74 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.38 -40.02 95.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.613 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.62 -42.09 91.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 109.12 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.67 -46.19 91.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.333 -0.855 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.97 -39.85 90.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.309 -0.87 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.85 98.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.338 -0.851 . . . . 0.0 109.394 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.98 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.075 -1.016 . . . . 0.0 109.351 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.406 ' CG2' ' HZ3' ' B' ' 113' ' ' LYS . 85.6 mt -60.09 -50.03 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.876 . . . . 0.0 109.1 179.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.6 tt0 -61.01 -39.96 91.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.509 -0.745 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.08 -46.33 89.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.326 -0.859 . . . . 0.0 109.783 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.73 -40.0 91.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.009 -1.057 . . . . 0.0 109.586 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.406 ' HZ3' ' CG2' ' B' ' 109' ' ' ILE . 34.3 mttp -65.79 -40.01 91.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.047 -1.033 . . . . 0.0 110.166 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.56 -42.0 99.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.806 -1.184 . . . . 0.0 109.703 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.57 -39.98 80.78 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.172 -0.955 . . . . 0.0 109.479 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -60.47 -41.23 93.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.28 -0.887 . . . . 0.0 109.109 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.75 -39.95 90.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 54.1 tp -59.99 -40.99 91.06 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.46 -39.65 95.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.452 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.96 -35.26 74.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.341 -0.849 . . . . 0.0 110.109 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.33 -47.82 78.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.846 -1.159 . . . . 0.0 108.401 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . 0.787 ' H ' HH12 ' B' ' 4' ' ' ARG . 50.8 t30 -129.45 61.3 1.55 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.24 -0.913 . . . . 0.0 109.002 178.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.318 179.809 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 92.2 mm-40 -80.16 145.14 32.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.412 -0.805 . . . . 0.0 109.733 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -89.62 61.44 5.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.322 -0.861 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.816 HH12 ' H ' ' C' ' 122' ' ' ASN . 42.7 mtp180 -62.31 -40.02 94.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.524 -0.735 . . . . 0.0 109.851 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.57 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.1 t -59.94 -45.75 91.61 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 108.742 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.57 ' N ' HG23 ' C' ' 5' ' ' THR . 59.8 tp -61.62 -44.31 97.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.141 -0.974 . . . . 0.0 108.882 178.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.49 -39.92 95.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 0.0 109.622 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.96 87.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.007 -1.058 . . . . 0.0 108.41 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.487 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -68.05 -48.25 54.82 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.14 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.507 -0.996 . . . . 0.0 109.167 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.03 -45.78 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 108.686 179.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.43 -40.43 96.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.209 -0.932 . . . . 0.0 109.89 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.02 -41.35 91.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.118 -0.989 . . . . 0.0 109.283 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.99 -41.91 93.08 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.068 -1.02 . . . . 0.0 109.157 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.38 -44.07 96.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.217 -0.927 . . . . 0.0 109.214 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -61.42 -40.82 95.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.147 -0.971 . . . . 0.0 109.007 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.0 -40.47 94.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.392 -0.817 . . . . 0.0 109.003 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -60.03 -48.65 80.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 0.0 109.981 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.99 -40.96 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 108.943 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.92 -49.44 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.0 108.59 179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -61.12 -40.53 94.12 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.678 -0.639 . . . . 0.0 109.795 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.06 -39.96 87.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.172 -0.955 . . . . 0.0 109.248 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.04 -45.03 94.18 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.115 -0.99 . . . . 0.0 108.881 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.48 -45.15 94.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.999 -1.063 . . . . 0.0 109.044 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.15 -41.87 93.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.433 -0.792 . . . . 0.0 109.535 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.799 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.087 -1.008 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.472 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -61.36 -41.79 97.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 109.536 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.9 p -63.19 -40.18 96.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 109.441 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.07 -39.96 84.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.266 -0.896 . . . . 0.0 109.006 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.98 -43.33 95.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 0.0 110.261 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -48.08 87.77 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -50.04 75.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -1.202 . . . . 0.0 110.245 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.48 -40.01 89.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.047 -1.033 . . . . 0.0 110.656 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.744 HD21 HH21 ' C' ' 41' ' ' ARG . 42.3 t30 -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.919 -1.113 . . . . 0.0 109.624 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.6 -39.93 89.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.042 -1.036 . . . . 0.0 109.155 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.09 -41.22 92.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 0.0 109.803 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.22 -41.21 92.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.876 -1.14 . . . . 0.0 108.52 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.744 HH21 HD21 ' C' ' 37' ' ' ASN . 87.3 mtt180 -66.01 -40.01 90.75 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.59 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.45 -0.781 . . . . 0.0 109.343 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -59.91 -40.05 87.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.997 -1.064 . . . . 0.0 109.148 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.88 82.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 109.553 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.72 -41.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 0.0 111.057 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.31 -40.04 94.99 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.539 -1.351 . . . . 0.0 108.553 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.0 -45.24 93.39 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 118.952 -1.099 . . . . 0.0 108.205 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.551 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.7 m-85 -62.69 -40.06 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.603 178.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 mt -59.58 -39.31 83.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.923 -1.111 . . . . 0.0 108.913 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.816 -1.178 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.97 -39.4 85.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.162 -0.961 . . . . 0.0 109.115 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 2.1 mp0 -59.71 -39.91 86.21 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.07 -1.019 . . . . 0.0 109.148 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.92 79.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.766 -1.209 . . . . 0.0 108.238 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.92 -40.0 87.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.125 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.48 116.17 8.72 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.72 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 71.0 m-80 -133.64 -57.33 0.89 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.435 -0.791 . . . . 0.0 110.793 -178.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.843 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.53 114.99 3.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.084 -1.01 . . . . 0.0 110.598 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.871 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 74.6 m95 -101.5 129.02 47.48 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.509 -0.745 . . . . 0.0 109.47 179.111 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 68.95 17.46 71.63 Favored Glycine 0 N--CA 1.493 2.479 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.783 178.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.12 24.6 0.13 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.668 -1.49 . . . . 0.0 109.135 -179.522 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.38 111.21 2.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.366 -0.834 . . . . 0.0 109.266 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.506 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.1 m-85 -120.2 11.39 11.57 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.45 -0.781 . . . . 0.0 110.284 179.057 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.48 24.44 1.91 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 177.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.483 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.4 mt-30 -144.86 152.0 39.6 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -104.24 57.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 108.469 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.72 42.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.529 -0.732 . . . . 0.0 109.797 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.83 133.23 46.81 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.559 ' O ' HG23 ' C' ' 68' ' ' THR . 7.5 t -92.81 114.71 27.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.842 -1.161 . . . . 0.0 109.733 -178.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.572 ' O ' HG23 ' C' ' 69' ' ' THR . 11.8 t -109.97 120.25 41.86 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.72 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 97.7 t -121.74 83.81 42.92 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.436 -0.79 . . . . 0.0 109.084 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.11 63.82 6.98 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.497 2.131 . . . . 0.0 111.274 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.415 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 29.6 t90 -68.84 136.74 89.96 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.415 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.6 Cg_exo -39.85 149.51 0.12 Allowed 'Trans proline' 0 N--CA 1.486 1.07 0 C-N-CA 121.44 1.427 . . . . 0.0 111.176 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.657 ' ND2' ' NE2' ' B' ' 52' ' ' GLN . 0.4 OUTLIER -128.86 -59.03 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.415 -0.803 . . . . 0.0 108.926 -179.535 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.19 127.9 40.3 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.1 p -80.01 110.35 15.31 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.836 -1.165 . . . . 0.0 107.951 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.94 136.04 37.13 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.68 0.752 . . . . 0.0 109.791 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.623 HG23 ' O ' ' C' ' 78' ' ' THR . 9.1 t -91.59 116.03 65.66 Favored Pre-proline 0 N--CA 1.49 1.568 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -89.76 -47.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.361 1.374 . . . . 0.0 114.216 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.41 -42.33 2.35 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.722 ' HE1' ' ND2' ' C' ' 82' ' ' ASN . 4.1 p90 -59.71 -48.73 80.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.36 -1.462 . . . . 0.0 113.045 -175.188 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.722 ' ND2' ' HE1' ' C' ' 81' ' ' TRP . 84.0 m-20 -73.36 -45.79 52.97 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 119.833 -1.792 . . . . 0.0 110.598 -179.304 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.1 -49.95 75.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.94 -1.1 . . . . 0.0 110.884 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.18 -42.17 89.26 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.671 -1.268 . . . . 0.0 109.753 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 81' ' ' TRP . 75.6 p -70.11 -39.92 75.2 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 110.02 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -69.1 -40.0 78.63 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 118.569 -1.252 . . . . 0.0 109.514 -178.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.36 -42.36 95.63 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.429 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.98 -41.3 97.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.317 -0.865 . . . . 0.0 108.881 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.5 t90 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.544 -0.723 . . . . 0.0 109.487 179.541 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.06 96.52 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.365 -0.834 . . . . 0.0 109.465 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -62.42 -41.97 99.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.208 -0.932 . . . . 0.0 110.37 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.88 -43.53 94.69 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.779 -1.201 . . . . 0.0 108.611 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.85 -42.11 91.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 61.8 t0 -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.905 . . . . 0.0 110.504 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.99 -39.98 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.78 -1.2 . . . . 0.0 109.009 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.58 -43.78 92.76 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 109.684 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.37 -44.03 95.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.859 -1.15 . . . . 0.0 109.52 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.04 -40.24 92.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.3 -0.875 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.98 -40.02 94.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.854 . . . . 0.0 109.86 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.15 -40.14 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.0 -1.062 . . . . 0.0 109.684 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.0 p -62.48 -40.28 96.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.968 -1.083 . . . . 0.0 109.313 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.04 83.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.231 -0.918 . . . . 0.0 109.71 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.63 -39.97 94.64 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.13 -0.981 . . . . 0.0 109.741 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.8 -41.88 91.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.044 -1.035 . . . . 0.0 108.989 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -45.9 92.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.635 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.1 -39.98 90.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.258 -0.901 . . . . 0.0 109.017 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.96 97.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.297 -0.877 . . . . 0.0 109.354 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.02 -49.91 75.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.13 -50.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.13 -0.981 . . . . 0.0 109.012 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 9' ' ' GLY . 63.4 tt0 -60.75 -40.13 91.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.465 -0.772 . . . . 0.0 110.024 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.96 -45.96 90.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 109.858 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.23 -40.05 90.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.98 -1.075 . . . . 0.0 109.529 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -65.68 -40.09 91.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.084 -1.01 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.41 -41.78 98.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.794 -1.192 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.82 -40.07 79.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.942 . . . . 0.0 109.318 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.26 -41.85 94.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.417 -0.802 . . . . 0.0 109.603 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . 0.472 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 53.7 tp -60.01 -40.84 90.62 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.54 -39.78 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.419 -0.801 . . . . 0.0 109.509 179.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -59.96 -34.85 73.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -178.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 121' ' ' LEU . 86.3 mt -56.71 -47.48 79.84 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.897 -1.127 . . . . 0.0 108.306 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . 0.816 ' H ' HH12 ' C' ' 4' ' ' ARG . 50.2 t30 -129.78 61.46 1.56 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.318 -0.864 . . . . 0.0 108.863 178.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.213 179.769 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.534 HE22 ' NE2' ' C' ' 2' ' ' GLN . 92.0 mm-40 -77.02 145.37 38.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.306 -0.872 . . . . 0.0 109.773 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.02 60.43 4.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.956 . . . . 0.0 109.193 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -66.18 -39.61 89.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.427 -0.796 . . . . 0.0 109.037 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.93 -42.38 93.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.309 -0.869 . . . . 0.0 109.139 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' N ' HG23 ' A' ' 5' ' ' THR . 59.8 tp -60.09 -44.53 94.73 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 108.844 179.142 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.09 -39.77 87.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.554 -0.716 . . . . 0.0 109.683 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.02 87.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.044 -1.035 . . . . 0.0 108.592 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.2 -47.02 55.42 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.06 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -1.1 . . . . 0.0 109.911 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.19 -41.44 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.35 -40.87 92.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.491 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.6 tp-100 -60.11 -40.75 90.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.272 -0.893 . . . . 0.0 109.666 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.07 -41.59 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.974 . . . . 0.0 109.285 -179.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.21 -40.9 95.69 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -0.976 . . . . 0.0 109.439 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.0 mt-30 -64.14 -40.06 95.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.51 -41.56 98.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.19 -0.944 . . . . 0.0 109.499 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 HD23 ' A' ' 104' ' ' LEU . 55.5 tp -60.85 -42.09 97.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.263 -0.898 . . . . 0.0 109.102 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.0 -46.98 87.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.156 -0.965 . . . . 0.0 110.105 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.8 t -59.99 -40.09 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.608 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.0 -43.85 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.197 -0.94 . . . . 0.0 108.835 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.17 -41.23 92.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.564 -0.71 . . . . 0.0 109.281 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HE ' HD11 ' B' ' 103' ' ' LEU . 52.4 mtt-85 -60.64 -39.95 90.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.125 -0.984 . . . . 0.0 108.6 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.95 -47.33 86.24 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.094 -1.004 . . . . 0.0 109.313 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.01 -41.27 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.016 -1.053 . . . . 0.0 109.675 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.27 -40.01 94.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.177 -0.952 . . . . 0.0 109.244 179.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.04 -40.29 88.89 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 108.934 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.44 -40.45 91.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.1 mt -63.45 -40.69 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.967 -1.083 . . . . 0.0 109.325 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -64.05 -40.05 95.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.105 -0.997 . . . . 0.0 109.185 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 54.4 t -60.53 -40.03 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.393 -0.817 . . . . 0.0 109.278 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.11 -40.75 90.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.226 -0.921 . . . . 0.0 109.639 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.7 97.0 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.85 -1.382 . . . . 0.0 109.324 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.3 mttp -61.36 -39.95 92.49 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.421 178.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -59.93 -40.46 88.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.433 -0.792 . . . . 0.0 109.697 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 38' ' ' LEU . 87.8 mt -60.09 -40.06 88.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.934 -1.104 . . . . 0.0 108.782 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.99 -39.52 85.99 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.431 -0.793 . . . . 0.0 108.862 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.7 p -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.746 -1.221 . . . . 0.0 108.897 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.6 mtt-85 -62.86 -40.04 96.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.684 -1.26 . . . . 0.0 108.397 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.64 -41.11 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.626 -0.671 . . . . 0.0 109.726 -179.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -59.93 -40.03 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.898 -1.126 . . . . 0.0 109.334 -179.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.84 85.23 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.116 -0.99 . . . . 0.0 108.708 179.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.68 -39.94 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.752 -0.592 . . . . 0.0 109.805 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 8.0 mm-40 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 108.691 -179.047 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.33 -45.41 94.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.485 -0.759 . . . . 0.0 109.567 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.1 m-85 -64.73 -39.99 94.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.319 -0.863 . . . . 0.0 110.059 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 HE22 ' C' ' 52' ' ' GLN . 83.5 mt -59.95 -39.94 87.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.952 -1.093 . . . . 0.0 108.924 -179.597 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.142 . . . . 0.0 108.649 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.01 -41.17 91.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.556 -0.715 . . . . 0.0 109.776 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.417 HE22 HD22 ' B' ' 49' ' ' LEU . 25.3 mt-30 -60.89 -39.93 91.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.195 -0.941 . . . . 0.0 109.835 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -57.82 -38.5 75.69 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.819 -1.176 . . . . 0.0 107.885 179.323 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -59.98 -37.85 80.84 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.5 mt -67.34 117.27 9.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.497 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 26.6 m120 -132.94 -56.25 0.93 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.82 . . . . 0.0 110.693 -179.26 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.834 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.36 114.96 3.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.974 -1.079 . . . . 0.0 110.894 -178.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.821 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 79.4 m95 -102.3 128.98 48.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.418 -0.801 . . . . 0.0 109.5 178.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 69.67 19.1 74.56 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.359 -1.097 . . . . 0.0 110.359 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.552 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.18 22.94 0.11 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.303 . . . . 0.0 109.25 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.3 107.8 1.61 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.244 -0.91 . . . . 0.0 109.39 179.158 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -108.1 12.18 27.01 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.248 -0.908 . . . . 0.0 110.543 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.647 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 57.2 mtp180 -139.86 24.0 2.41 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.028 -1.045 . . . . 0.0 108.931 177.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.47 152.75 34.73 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -102.94 62.78 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.1 -1.0 . . . . 0.0 109.234 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.06 156.7 42.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.393 -0.817 . . . . 0.0 109.745 179.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -131.35 133.54 45.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.44 115.8 28.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.699 -1.25 . . . . 0.0 108.853 -179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 69' ' ' THR . 11.9 t -109.61 121.08 44.42 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.497 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 98.3 t -123.43 85.07 52.42 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.311 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -86.91 65.08 4.49 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 123.2 2.6 . . . . 0.0 112.515 -179.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.41 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.3 t90 -69.12 140.23 90.7 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 9.8 Cg_endo -53.05 147.37 34.18 Favored 'Trans proline' 0 C--N 1.315 -1.227 0 CA-C-N 120.133 1.083 . . . . 0.0 110.197 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 8.6 t-20 -132.11 -32.19 1.41 Allowed 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.903 0.859 . . . . 0.0 108.885 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -93.29 122.54 35.79 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.447 ' HG ' ' HH ' ' C' ' 48' ' ' TYR . 1.6 m -86.06 101.03 12.59 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 mt -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.487 0.66 . . . . 0.0 109.561 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 78' ' ' THR . 12.2 t -96.51 112.26 59.54 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -91.05 -48.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.214 0 C-N-CA 121.455 1.436 . . . . 0.0 114.124 -179.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.33 -44.94 2.24 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.1 p90 -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.155 -1.591 . . . . 0.0 112.379 -175.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 14.0 t-20 -79.26 -37.8 37.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.079 -1.638 . . . . 0.0 109.709 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.97 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.193 -0.942 . . . . 0.0 109.777 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.98 -40.93 97.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.897 -1.127 . . . . 0.0 109.364 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 81' ' ' TRP . 82.1 p -67.52 -40.06 85.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.157 -0.964 . . . . 0.0 109.445 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 54.1 t-105 -63.81 -39.99 95.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.025 . . . . 0.0 109.316 -179.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.22 -40.48 90.29 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.046 -1.033 . . . . 0.0 109.132 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.54 -40.76 92.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.026 -1.046 . . . . 0.0 108.759 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.438 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.2 t90 -60.04 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.199 179.459 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.39 -42.35 98.58 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.981 . . . . 0.0 109.761 179.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' A' ' 91' ' ' ARG . 42.6 mtt-85 -61.73 -40.19 94.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.22 -42.83 99.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.738 -1.226 . . . . 0.0 109.575 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.16 -40.48 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.041 -1.037 . . . . 0.0 108.719 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -60.72 -43.16 98.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.477 -0.764 . . . . 0.0 110.532 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.61 -39.96 80.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.809 -1.182 . . . . 0.0 109.725 -179.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.03 -40.27 82.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.162 -0.961 . . . . 0.0 108.867 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.04 -48.32 82.2 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.355 -0.841 . . . . 0.0 109.17 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.08 -42.23 94.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.348 -0.845 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -63.28 -40.04 96.28 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.35 -0.844 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.39 -40.43 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -61.43 -41.34 97.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.05 75.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -0.961 . . . . 0.0 109.446 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' C' ' 23' ' ' ARG . 92.1 mt -61.12 -42.9 99.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.042 -1.036 . . . . 0.0 109.463 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 18' ' ' LEU . 85.1 mt -60.06 -47.38 86.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.175 -0.953 . . . . 0.0 108.642 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -49.59 77.08 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.086 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.83 -41.9 96.67 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.33 97.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 110.074 -179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.16 -43.85 98.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 109.53 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.13 -50.01 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.299 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.03 94.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 0.0 110.057 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.145 -0.972 . . . . 0.0 109.762 -179.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.87 -40.0 95.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.08 -1.013 . . . . 0.0 109.589 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.44 -40.07 95.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.204 -0.935 . . . . 0.0 109.795 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.28 -42.8 99.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp -67.72 -39.98 84.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.053 -1.03 . . . . 0.0 108.405 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -60.07 -49.84 76.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.26 -40.06 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.095 -1.003 . . . . 0.0 108.949 179.178 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.96 -40.91 90.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.84 . . . . 0.0 109.467 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.05 -40.59 89.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.099 -1.001 . . . . 0.0 109.682 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -60.13 -39.97 88.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.046 -1.034 . . . . 0.0 109.796 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -47.96 81.29 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -125.98 62.85 1.24 Allowed 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.336 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.554 ' NE2' HE22 ' C' ' 2' ' ' GLN . 92.3 mm-40 -76.87 145.29 38.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.864 . . . . 0.0 109.731 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -90.01 60.65 4.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 109.154 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.28 -39.63 89.54 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.43 -0.794 . . . . 0.0 109.048 179.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.0 t -60.07 -42.29 94.23 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.244 -0.91 . . . . 0.0 109.142 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' B' ' 5' ' ' THR . 59.3 tp -60.04 -44.69 94.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 108.79 179.123 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.373 -0.829 . . . . 0.0 109.602 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.0 85.92 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.022 -1.049 . . . . 0.0 108.71 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.83 55.31 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -49.93 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -1.075 . . . . 0.0 109.942 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.36 -41.73 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 109.503 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.08 -40.96 91.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.204 -0.935 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.507 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.6 tp-100 -60.06 -40.52 89.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 0.0 109.769 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 109.41 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.26 -40.5 94.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.414 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.507 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 26.9 mt-30 -64.51 -39.98 94.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.59 -41.6 98.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 0.0 109.474 179.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.466 HD11 HD23 ' B' ' 104' ' ' LEU . 55.5 tp -60.66 -42.09 96.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.368 -0.833 . . . . 0.0 109.2 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.16 -46.78 88.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.061 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -60.11 -40.1 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.077 -1.015 . . . . 0.0 109.478 -179.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.04 -44.05 93.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.218 -0.926 . . . . 0.0 108.937 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -41.22 91.87 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.539 -0.726 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.44 ' HE ' HD11 ' C' ' 103' ' ' LEU . 51.7 mtt-85 -60.61 -40.02 90.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 109.941 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.651 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.89 -47.44 85.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.185 -0.947 . . . . 0.0 109.229 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.89 -41.25 99.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.014 -1.054 . . . . 0.0 109.738 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.1 tp -62.33 -40.02 95.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 109.304 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.02 -40.52 89.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.154 -0.967 . . . . 0.0 109.111 179.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.1 -40.92 91.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.256 -0.903 . . . . 0.0 109.764 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.9 mt -63.01 -40.92 99.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.895 -1.128 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.1 p -63.93 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.527 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 54.4 t -60.63 -40.01 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.307 -0.871 . . . . 0.0 109.295 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -60.02 -40.79 90.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.488 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.65 97.04 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 119.563 -1.303 . . . . 0.0 109.969 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.09 -49.96 75.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.852 -1.381 . . . . 0.0 109.234 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.527 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.4 mttp -61.33 -40.01 92.65 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.26 -0.9 . . . . 0.0 109.523 178.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -60.0 -40.44 89.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.42 -0.8 . . . . 0.0 109.68 -178.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.922 -1.111 . . . . 0.0 108.875 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.04 -39.47 86.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 45.1 p -59.93 -41.61 92.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.69 -1.256 . . . . 0.0 108.906 -179.339 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.578 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.5 mtt-85 -63.07 -39.97 96.29 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.457 -1.297 . . . . 0.0 108.34 178.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.59 -41.07 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.52 -0.737 . . . . 0.0 109.814 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.0 p -59.99 -39.97 87.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.97 -1.081 . . . . 0.0 109.27 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.61 85.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 108.745 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.84 -39.98 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.635 -0.665 . . . . 0.0 109.702 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.486 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 8.0 mm-40 -59.97 -40.07 87.84 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.155 -0.966 . . . . 0.0 108.654 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.41 -45.25 95.11 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.696 -0.801 . . . . 0.0 109.548 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.7 m-85 -64.72 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.417 HD22 HE22 ' A' ' 52' ' ' GLN . 83.6 mt -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.975 -1.078 . . . . 0.0 108.839 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -62.84 -39.99 96.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.815 -1.178 . . . . 0.0 108.665 178.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.0 -41.05 91.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.507 -0.746 . . . . 0.0 109.85 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.413 ' CD ' ' OE1' ' A' ' 52' ' ' GLN . 25.4 mt-30 -60.92 -39.95 91.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.773 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -57.75 -38.41 75.32 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 120.838 -1.164 . . . . 0.0 107.877 179.452 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.05 -37.64 80.44 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 mt -67.64 117.16 9.19 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.491 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 26.8 m120 -132.88 -56.27 0.93 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.418 -0.801 . . . . 0.0 110.563 -179.1 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.821 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.39 114.97 3.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 110.958 -178.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.797 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 79.3 m95 -102.21 129.44 48.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.435 -0.791 . . . . 0.0 109.394 178.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.03 19.61 73.94 Favored Glycine 0 N--CA 1.492 2.413 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.392 179.159 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.559 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.64 22.64 0.13 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.892 -1.358 . . . . 0.0 109.262 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.9 108.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.391 179.089 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -108.26 12.15 26.74 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.205 -0.934 . . . . 0.0 110.516 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.614 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 57.5 mtp180 -139.85 24.0 2.41 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.912 -1.117 . . . . 0.0 108.877 177.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.42 152.69 34.7 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.95 62.9 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.09 -1.006 . . . . 0.0 109.25 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.06 156.7 42.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.349 -0.844 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -131.33 133.58 45.48 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.4 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -91.52 115.7 28.26 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.708 -1.245 . . . . 0.0 108.845 -179.879 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 69' ' ' THR . 11.9 t -109.51 121.13 44.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.63 -0.669 . . . . 0.0 109.247 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.491 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 97.5 t -123.53 85.06 52.81 Favored Pre-proline 0 N--CA 1.496 1.831 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.276 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.94 65.25 4.45 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 123.182 2.588 . . . . 0.0 112.507 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.412 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 12.7 t90 -69.15 140.35 90.72 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.532 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.409 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 9.7 Cg_endo -53.18 147.39 35.32 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 CA-C-N 120.232 1.119 . . . . 0.0 110.154 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 8.8 t-20 -132.26 -31.93 1.4 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.319 -0.863 . . . . 0.0 108.798 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -93.41 122.73 36.13 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -86.32 100.85 12.58 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 mt -84.61 133.44 34.42 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.498 0.666 . . . . 0.0 109.539 -178.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' THR . 12.4 t -96.25 112.48 59.9 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -91.07 -49.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.52 1.48 . . . . 0.0 114.104 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -122.03 -45.01 2.27 Favored 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.663 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.1 p90 -59.82 -52.89 63.54 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.162 -1.586 . . . . 0.0 112.389 -175.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.663 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 14.2 t-20 -79.18 -37.73 37.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 119.933 -1.729 . . . . 0.0 109.649 -179.506 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' B' ' 78' ' ' THR . 17.4 m120 -60.02 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.12 -0.988 . . . . 0.0 109.795 -179.514 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.14 -41.0 97.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.921 -1.112 . . . . 0.0 109.281 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.616 HG23 ' O ' ' B' ' 81' ' ' TRP . 82.6 p -67.55 -39.93 84.96 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.179 -0.951 . . . . 0.0 109.385 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 54.2 t-105 -63.74 -40.0 95.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.97 -1.081 . . . . 0.0 109.35 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.23 -40.57 90.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.955 -1.09 . . . . 0.0 108.994 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -40.95 92.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.76 178.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.453 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 56.5 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.367 -0.833 . . . . 0.0 109.185 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.43 -42.2 98.38 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.211 -0.931 . . . . 0.0 109.767 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' B' ' 91' ' ' ARG . 43.1 mtt-85 -61.62 -40.68 95.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 110.616 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.83 -42.75 98.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.682 -1.261 . . . . 0.0 109.672 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.49 -40.39 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.04 -1.037 . . . . 0.0 108.66 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.63 -43.24 97.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.51 -0.744 . . . . 0.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.46 -40.1 81.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.864 -1.147 . . . . 0.0 109.637 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -40.0 83.04 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.92 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.01 -48.52 81.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.286 -0.884 . . . . 0.0 109.111 179.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.03 -42.21 93.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.175 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -63.56 -40.05 95.98 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.222 -0.924 . . . . 0.0 109.461 -179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.1 -40.54 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 109.202 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -61.55 -41.1 96.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.082 -1.011 . . . . 0.0 109.666 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.57 77.12 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.121 -0.987 . . . . 0.0 109.584 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.478 HD11 ' HE ' ' A' ' 23' ' ' ARG . 90.1 mt -61.68 -42.73 99.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.466 HD23 HD11 ' B' ' 18' ' ' LEU . 85.3 mt -60.12 -47.43 85.93 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 108.557 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -49.49 77.46 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.418 -0.801 . . . . 0.0 109.078 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.75 -41.81 96.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.346 -0.846 . . . . 0.0 109.507 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.22 99.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 0.0 110.065 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.14 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.983 -1.073 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.314 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.24 -40.06 93.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.03 -49.63 76.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 0.0 109.813 -179.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.01 -40.12 95.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.006 -1.059 . . . . 0.0 109.561 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.33 -40.07 95.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.413 -0.804 . . . . 0.0 109.898 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.39 -42.59 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.035 -1.04 . . . . 0.0 109.95 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.4 ttp -68.01 -40.06 83.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.125 -0.984 . . . . 0.0 108.417 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.545 -0.722 . . . . 0.0 109.205 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.116 -0.99 . . . . 0.0 109.009 179.218 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -40.85 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.435 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.0 mt-30 -60.05 -40.76 90.56 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.089 -1.007 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -59.96 -40.05 87.72 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.094 -1.004 . . . . 0.0 109.698 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.0 -47.86 81.77 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -126.01 63.03 1.24 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.288 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.554 HE22 ' NE2' ' B' ' 2' ' ' GLN . 91.9 mm-40 -76.83 145.29 38.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.36 -0.838 . . . . 0.0 109.808 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.09 60.61 4.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 109.165 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.403 ' NH1' ' O ' ' C' ' 121' ' ' LEU . 97.0 mtt180 -66.13 -39.86 90.19 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.0 t -59.88 -42.43 93.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.29 -0.881 . . . . 0.0 109.113 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' C' ' 5' ' ' THR . 59.5 tp -60.03 -44.6 94.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.713 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.05 -39.85 87.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.395 -0.816 . . . . 0.0 109.631 179.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.987 -1.07 . . . . 0.0 108.565 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.23 -46.98 55.39 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 178.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.356 -1.085 . . . . 0.0 109.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.35 -41.62 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.98 -41.04 91.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.413 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . 0.502 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.6 tp-100 -60.06 -40.71 90.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.03 -41.73 92.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.091 -1.005 . . . . 0.0 109.248 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.09 -40.94 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.448 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.502 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.0 mt-30 -63.98 -40.26 95.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.641 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -63.45 -41.46 98.65 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.189 -0.945 . . . . 0.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.479 HD11 HD23 ' C' ' 104' ' ' LEU . 55.1 tp -60.79 -42.05 96.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.154 -0.966 . . . . 0.0 109.315 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.97 -47.04 87.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 0.0 110.037 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.0 -40.12 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 109.65 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -43.96 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.279 -0.888 . . . . 0.0 108.803 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.06 -41.29 92.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.596 -0.69 . . . . 0.0 109.234 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' A' ' 103' ' ' LEU . 52.5 mtt-85 -60.59 -39.99 90.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 109.915 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.05 -39.87 87.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.118 -0.989 . . . . 0.0 108.623 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -60.07 -46.84 88.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.354 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.9 98.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.981 -1.074 . . . . 0.0 109.58 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.62 -40.01 95.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.179 -0.951 . . . . 0.0 109.27 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.01 -40.42 89.19 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.029 178.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.917 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.438 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -63.11 -41.09 99.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -63.91 -40.01 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.165 -0.96 . . . . 0.0 109.252 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . 0.535 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 54.3 t -60.35 -40.15 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.326 -0.859 . . . . 0.0 109.294 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.92 -40.84 90.22 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.237 -0.915 . . . . 0.0 109.646 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.69 96.87 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.587 -1.292 . . . . 0.0 109.954 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.03 -50.06 75.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.971 -1.311 . . . . 0.0 109.269 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . 0.535 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.48 -40.11 93.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.807 . . . . 0.0 109.415 178.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -59.98 -40.27 88.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.434 -0.791 . . . . 0.0 109.655 -178.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' C' ' 38' ' ' LEU . 88.5 mt -60.19 -40.07 88.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.91 -1.119 . . . . 0.0 108.779 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.95 -39.55 85.96 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.33 -0.856 . . . . 0.0 108.893 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 -41.65 92.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.761 -1.212 . . . . 0.0 108.864 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.609 HH22 ' CG ' ' A' ' 82' ' ' ASN . 47.2 mtt-85 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.59 -1.319 . . . . 0.0 108.474 178.193 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.66 -41.16 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 -179.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.1 p -59.9 -40.07 87.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.876 -1.14 . . . . 0.0 109.218 -179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.66 85.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.84 -39.99 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.642 -0.661 . . . . 0.0 109.782 179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.481 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 8.0 mm-40 -60.05 -40.04 88.03 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.169 -0.957 . . . . 0.0 108.604 -179.097 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.34 -45.35 94.78 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.415 -0.803 . . . . 0.0 109.595 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.403 HD22 HE22 ' B' ' 52' ' ' GLN . 83.7 mt -60.04 -40.01 87.91 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.911 -1.118 . . . . 0.0 108.844 -179.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.59 -40.05 95.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.809 -1.182 . . . . 0.0 108.803 178.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.03 -41.1 91.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.557 -0.714 . . . . 0.0 109.82 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.407 ' OE1' ' CD ' ' A' ' 52' ' ' GLN . 25.5 mt-30 -60.9 -40.05 91.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -0.972 . . . . 0.0 109.746 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -57.69 -38.51 75.31 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.875 -1.141 . . . . 0.0 107.968 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 56.0 tt0 -59.99 -37.97 81.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.107 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.4 117.07 8.88 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.503 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 27.1 m120 -132.9 -56.36 0.93 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.372 -0.83 . . . . 0.0 110.649 -179.157 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.797 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.17 114.99 3.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.877 -1.14 . . . . 0.0 111.027 -178.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.834 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 79.4 m95 -102.25 129.32 48.63 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.496 -0.752 . . . . 0.0 109.427 178.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 69.35 19.34 74.23 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.549 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.43 22.81 0.12 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.935 -1.332 . . . . 0.0 109.275 -179.511 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.17 107.87 1.64 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.185 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -108.04 11.96 27.3 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.159 -0.963 . . . . 0.0 110.481 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.647 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 57.4 mtp180 -139.88 24.37 2.39 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.903 -1.123 . . . . 0.0 108.981 177.408 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.75 152.51 33.97 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.04 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.81 63.03 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.095 -1.003 . . . . 0.0 109.157 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 156.74 42.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.364 -0.835 . . . . 0.0 109.703 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -131.45 133.62 45.36 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.73 115.66 28.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.727 -1.233 . . . . 0.0 108.877 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.551 ' O ' HG23 ' C' ' 69' ' ' THR . 12.2 t -109.57 121.17 44.61 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.083 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.503 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 98.3 t -123.44 85.1 52.47 Favored Pre-proline 0 N--CA 1.496 1.829 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.11 65.17 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 123.169 2.58 . . . . 0.0 112.435 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.417 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 12.8 t90 -69.11 140.17 90.69 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.42 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.411 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 9.7 Cg_endo -53.08 147.41 34.35 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 CA-C-N 120.218 1.114 . . . . 0.0 110.259 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 8.8 t-20 -132.26 -32.01 1.4 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.32 -0.862 . . . . 0.0 108.825 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . 0.481 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -93.35 122.51 35.83 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -86.15 101.1 12.69 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.69 133.53 34.38 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.48 0.657 . . . . 0.0 109.5 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.681 HG23 ' O ' ' C' ' 78' ' ' THR . 12.2 t -96.47 112.26 59.48 Favored Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.97 -48.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.421 1.414 . . . . 0.0 114.217 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -122.35 -44.77 2.24 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -176.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.1 p90 -60.01 -52.96 63.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.153 -1.592 . . . . 0.0 112.333 -175.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 14.8 t-20 -79.05 -37.84 37.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 119.973 -1.705 . . . . 0.0 109.745 -179.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' C' ' 78' ' ' THR . 17.4 m120 -59.91 -48.44 81.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.791 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.93 -41.0 97.43 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.106 -0.996 . . . . 0.0 109.331 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.63 HG23 ' O ' ' C' ' 81' ' ' TRP . 82.6 p -67.6 -40.01 84.77 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -63.79 -40.01 95.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.988 -1.07 . . . . 0.0 109.316 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.09 -40.8 90.85 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.921 -1.112 . . . . 0.0 109.002 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.24 -40.79 91.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 178.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.6 t90 -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.586 -0.696 . . . . 0.0 109.287 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.37 -42.47 98.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' C' ' 91' ' ' ARG . 42.2 mtt-85 -61.46 -40.55 94.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.908 . . . . 0.0 110.687 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -42.68 98.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.582 -1.324 . . . . 0.0 109.614 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -40.66 86.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.068 -1.02 . . . . 0.0 108.61 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.53 -43.23 97.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.4 -0.812 . . . . 0.0 110.635 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.5 -40.05 81.01 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.766 -1.209 . . . . 0.0 109.741 -179.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.03 -40.22 82.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.13 -0.981 . . . . 0.0 108.868 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.09 -48.31 82.25 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 109.205 179.267 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.23 -39.99 96.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.412 -0.805 . . . . 0.0 109.371 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -68.62 -40.23 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 109.24 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -61.72 -41.07 97.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.053 -1.029 . . . . 0.0 109.616 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.94 75.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.186 -0.946 . . . . 0.0 109.503 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.44 HD11 ' HE ' ' B' ' 23' ' ' ARG . 90.4 mt -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.193 -0.942 . . . . 0.0 109.495 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.479 HD23 HD11 ' C' ' 18' ' ' LEU . 85.5 mt -60.08 -47.38 86.14 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.079 -1.013 . . . . 0.0 108.631 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -49.89 75.9 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.378 -0.826 . . . . 0.0 108.998 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -42.53 95.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 109.38 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.84 95.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 110.152 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.74 -44.12 97.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.003 -1.061 . . . . 0.0 109.46 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.98 -50.0 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.19 -0.944 . . . . 0.0 109.345 179.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -65.05 -40.06 94.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.0 110.031 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -60.04 -49.71 76.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.226 -0.921 . . . . 0.0 109.611 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.13 -39.99 95.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.537 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -62.55 -39.99 95.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 109.769 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.33 -42.51 99.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.995 -1.066 . . . . 0.0 110.056 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.97 -40.07 83.22 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.098 -1.002 . . . . 0.0 108.304 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.04 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 0.0 109.073 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.23 -39.92 88.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.243 -0.91 . . . . 0.0 109.053 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -40.65 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.386 -0.821 . . . . 0.0 109.467 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -60.18 -40.77 91.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 109.607 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -59.93 -39.68 86.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.141 -0.974 . . . . 0.0 109.936 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.403 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 94.0 mt -58.24 -47.9 82.09 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -126.06 63.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.99 145.3 36.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.507 -0.746 . . . . 0.0 109.422 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -88.3 62.81 6.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -62.86 -40.41 97.39 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.659 -0.651 . . . . 0.0 109.558 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.7 t -60.48 -42.54 96.49 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.158 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.514 ' N ' HG23 ' A' ' 5' ' ' THR . 59.1 tp -62.86 -42.52 99.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.337 -0.852 . . . . 0.0 109.141 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.05 -39.61 90.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.392 -0.818 . . . . 0.0 109.658 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.43 88.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 0.0 108.642 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.32 -46.29 64.81 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -48.72 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.466 -1.02 . . . . 0.0 109.478 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.05 -45.86 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.93 -39.94 91.35 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.022 -1.049 . . . . 0.0 109.553 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.78 -41.13 90.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -0.963 . . . . 0.0 109.604 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.914 -1.116 . . . . 0.0 109.436 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.03 -42.92 99.38 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.136 -0.977 . . . . 0.0 108.775 179.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.74 -42.03 98.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.302 -0.874 . . . . 0.0 109.256 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.93 -40.83 95.66 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.118 -0.988 . . . . 0.0 109.125 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -43.78 94.86 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.01 -47.94 83.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.278 -0.889 . . . . 0.0 109.875 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG13 HG23 ' B' ' 100' ' ' ILE . 78.3 t -60.5 -41.1 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.175 -0.953 . . . . 0.0 109.559 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -45.49 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.248 -0.908 . . . . 0.0 109.018 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.66 -42.21 96.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.673 -0.642 . . . . 0.0 109.669 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' A' ' 23' ' ' ARG . 48.9 mtt-85 -60.55 -39.95 89.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.632 -0.668 . . . . 0.0 109.774 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -59.79 -39.82 86.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 108.72 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.09 -48.18 82.79 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 108.822 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.66 -41.18 98.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD23 HD13 ' B' ' 28' ' ' LEU . 22.9 tp -62.01 -40.15 94.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 108.989 179.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 HD23 ' C' ' 27' ' ' LEU . 19.3 mt -60.31 -40.21 89.76 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.58 -0.7 . . . . 0.0 109.36 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.52 -40.21 90.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.2 mt -62.19 -41.2 98.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.159 -0.963 . . . . 0.0 109.33 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.6 p -64.35 -40.06 95.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.275 -0.891 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -60.2 -40.5 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.0 108.948 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.05 -41.44 92.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.173 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -47.53 90.53 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -60.07 -49.38 77.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.265 . . . . 0.0 109.498 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -60.94 -40.05 91.81 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.352 -0.843 . . . . 0.0 109.763 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.687 HD21 ' NH2' ' A' ' 41' ' ' ARG . 60.4 t-20 -60.01 -40.36 88.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.635 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.11 -40.07 88.41 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.09 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.96 -40.23 88.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 109.575 -179.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.2 p -59.98 -40.45 89.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.739 -1.225 . . . . 0.0 108.798 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.687 ' NH2' HD21 ' A' ' 37' ' ' ASN . 29.7 mtt-85 -63.98 -40.0 95.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.135 -0.978 . . . . 0.0 108.485 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.09 -41.65 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.083 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -61.14 -40.03 92.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.991 -1.068 . . . . 0.0 110.017 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.31 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.085 -1.634 . . . . 0.0 108.999 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.02 -39.87 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.597 -0.689 . . . . 0.0 109.86 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -39.72 87.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.03 -1.044 . . . . 0.0 108.896 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.34 -41.29 93.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.113 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 46.6 m-85 -67.17 -38.79 86.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.861 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.92 -40.0 87.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.824 -1.172 . . . . 0.0 108.701 179.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -60.2 -39.77 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.692 -1.255 . . . . 0.0 108.354 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 57.9 t0 -60.08 -39.89 87.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.297 -0.877 . . . . 0.0 108.786 178.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.616 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.94 -39.84 86.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.28 -0.888 . . . . 0.0 108.864 -179.45 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.616 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -59.8 -36.43 76.73 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.999 -1.063 . . . . 0.0 108.672 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.96 -39.31 85.16 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.262 -0.899 . . . . 0.0 109.562 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -75.34 114.59 14.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.979 -1.076 . . . . 0.0 109.355 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -134.43 -70.15 0.51 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.427 -0.796 . . . . 0.0 109.813 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.67 87.71 1.72 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 108.782 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.4 ' C ' ' H ' ' A' ' 60' ' ' ALA . 62.9 m95 -105.36 147.45 28.17 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.477 -0.765 . . . . 0.0 110.753 -179.348 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 62.85 5.19 8.59 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.344 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.51 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -74.15 23.56 0.08 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.737 -0.861 . . . . 0.0 109.033 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.57 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -157.0 114.96 3.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.447 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.92 12.59 20.8 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.196 -0.94 . . . . 0.0 110.729 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.502 ' CD ' HH21 ' C' ' 63' ' ' ARG . 62.6 mtt-85 -131.39 24.79 4.82 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.57 ' NE2' ' HB1' ' A' ' 61' ' ' ALA . 42.4 mt-30 -140.5 151.43 44.8 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.78 58.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.998 -1.063 . . . . 0.0 109.209 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.98 158.01 39.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.564 -0.71 . . . . 0.0 109.756 179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.64 134.49 49.64 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 68' ' ' THR . 4.7 t -97.62 120.25 37.66 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.129 -0.982 . . . . 0.0 110.697 -177.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 69' ' ' THR . 11.3 t -118.27 121.54 40.7 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -126.97 85.49 60.96 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.421 -0.799 . . . . 0.0 109.216 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -82.58 65.57 8.17 Favored 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.606 2.204 . . . . 0.0 112.007 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' PRO . 26.8 t90 -69.9 134.94 87.68 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.463 -0.773 . . . . 0.0 109.088 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' TRP . 71.8 Cg_exo -39.47 149.04 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.542 1.495 . . . . 0.0 111.202 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 43.0 t30 -130.26 -60.06 1.02 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.596 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.76 125.49 34.46 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 t -80.09 112.37 17.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.931 -1.106 . . . . 0.0 108.306 -178.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.82 135.79 37.16 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.794 0.807 . . . . 0.0 109.955 -178.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 78' ' ' THR . 7.2 t -90.84 113.87 59.45 Favored Pre-proline 0 C--N 1.299 -1.606 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -91.88 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.511 1.474 . . . . 0.0 114.353 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -121.8 -43.78 2.35 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.106 -0.996 . . . . 0.0 113.336 -177.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.88 -48.08 83.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.684 -1.26 . . . . 0.0 112.78 -175.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.8 t30 -72.59 -46.82 52.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.091 -1.63 . . . . 0.0 110.177 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.0 -50.16 74.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 110.344 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.73 -45.63 93.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.917 -1.114 . . . . 0.0 109.362 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 81' ' ' TRP . 48.4 p -68.43 -40.02 81.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.087 -1.008 . . . . 0.0 109.767 -179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -65.5 -40.11 92.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.974 -1.079 . . . . 0.0 109.265 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.1 -41.41 92.48 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.546 -1.346 . . . . 0.0 108.505 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.17 -43.18 96.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.3 t90 -60.29 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.59 -41.6 98.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -63.43 -40.67 97.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.078 -1.014 . . . . 0.0 110.379 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.34 -42.78 96.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.667 -1.27 . . . . 0.0 108.618 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.43 -40.91 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.388 -0.82 . . . . 0.0 109.133 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.91 -48.16 82.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.043 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -60.29 -45.36 93.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.924 -1.11 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.251 -0.906 . . . . 0.0 108.853 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 101' ' ' THR . 86.2 tt0 -60.12 -47.63 85.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.303 -0.873 . . . . 0.0 109.423 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.62 -44.86 95.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.35 -0.844 . . . . 0.0 109.749 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.465 ' OD1' ' CZ ' ' C' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -40.97 96.75 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.591 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 HG13 ' C' ' 20' ' ' VAL . 83.0 mt -65.17 -40.91 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.977 -1.077 . . . . 0.0 109.418 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 97' ' ' GLU . 40.8 p -62.4 -40.71 97.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.091 -1.006 . . . . 0.0 109.141 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -48.02 82.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.455 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.05 -42.61 99.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.231 -0.918 . . . . 0.0 109.41 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.13 -46.1 91.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.312 -0.867 . . . . 0.0 109.064 179.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.45 -49.44 77.57 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 109.199 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.58 -41.36 94.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.4 96.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.952 -1.093 . . . . 0.0 109.62 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.23 -47.45 85.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.18 -0.95 . . . . 0.0 109.243 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -49.7 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.237 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -65.59 -40.1 92.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.378 -0.826 . . . . 0.0 109.357 -179.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.07 -48.23 82.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.372 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.99 -41.34 96.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.415 -0.803 . . . . 0.0 109.262 179.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.59 -40.74 97.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.021 . . . . 0.0 110.169 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.32 -42.71 87.84 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 109.48 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.77 -40.22 76.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.051 -1.031 . . . . 0.0 108.981 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -60.3 -48.0 83.6 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.628 -0.67 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.43 -40.19 93.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.586 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.12 -41.73 93.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.547 -0.72 . . . . 0.0 109.602 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -61.9 -39.97 93.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.528 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.03 -39.08 84.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.186 -0.946 . . . . 0.0 109.121 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.17 -47.95 83.4 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.103 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -123.97 62.39 1.08 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.0 p . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.039 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.18 145.36 35.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.575 -0.703 . . . . 0.0 109.448 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -88.38 62.99 6.9 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.314 -0.866 . . . . 0.0 108.942 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -63.23 -40.22 96.83 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.5 -0.75 . . . . 0.0 109.352 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.3 t -60.35 -42.46 95.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.526 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -62.73 -42.79 99.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.481 -0.762 . . . . 0.0 109.014 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.06 -39.84 91.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.629 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.14 86.07 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.878 -1.139 . . . . 0.0 108.708 -179.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -46.58 61.22 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.02 -49.14 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.466 -1.02 . . . . 0.0 109.479 179.376 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.36 -45.43 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.957 -1.089 . . . . 0.0 109.585 -179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.57 -39.81 89.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.921 -1.112 . . . . 0.0 109.384 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.26 -41.1 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.246 -0.909 . . . . 0.0 109.498 -178.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -62.08 -40.74 96.85 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.932 -1.105 . . . . 0.0 109.576 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -61.02 -42.82 99.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 108.714 179.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -62.11 -42.39 99.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.395 -0.816 . . . . 0.0 109.137 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.41 -40.84 96.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.991 -1.068 . . . . 0.0 109.157 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.34 -43.51 96.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.812 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.33 -47.93 83.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.423 HG13 HG23 ' C' ' 100' ' ' ILE . 77.0 t -60.29 -41.29 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.947 . . . . 0.0 109.395 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.15 -45.93 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.33 -0.856 . . . . 0.0 109.172 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.24 -42.56 95.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.641 -0.662 . . . . 0.0 109.522 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.45 ' CZ ' ' OD1' ' C' ' 99' ' ' ASN . 49.3 mtt-85 -60.45 -39.46 87.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.512 -0.743 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -40.05 87.81 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -59.81 -48.2 82.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.092 -1.005 . . . . 0.0 108.856 179.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.5 -41.13 98.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.162 -0.961 . . . . 0.0 109.69 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.435 HD23 HD13 ' C' ' 28' ' ' LEU . 23.0 tp -62.28 -39.96 94.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.053 179.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.41 HD13 HD23 ' A' ' 27' ' ' LEU . 19.5 mt -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.36 90.56 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.202 -0.936 . . . . 0.0 109.2 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -62.19 -41.12 98.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.959 -1.088 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.7 p -64.45 -40.02 94.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -0.859 . . . . 0.0 109.431 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.98 -40.96 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.0 109.007 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.2 -40.97 91.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.174 -0.954 . . . . 0.0 109.933 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.7 -47.38 91.24 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.427 -1.368 . . . . 0.0 109.711 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.07 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.876 -1.367 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.3 -39.78 88.14 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.334 -0.854 . . . . 0.0 109.607 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.679 HD21 ' NH2' ' B' ' 41' ' ' ARG . 62.0 t-20 -60.31 -39.99 88.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.087 -1.008 . . . . 0.0 109.791 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 38' ' ' LEU . 86.2 mt -60.08 -39.94 87.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.874 -1.141 . . . . 0.0 109.071 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.07 -40.35 89.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.529 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 59.5 p -60.06 -40.28 88.93 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.744 -1.223 . . . . 0.0 108.814 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.679 ' NH2' HD21 ' B' ' 37' ' ' ASN . 29.4 mtt-85 -63.96 -40.16 95.79 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.89 -42.16 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.455 -0.778 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.2 p -60.48 -40.22 90.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -0.972 . . . . 0.0 109.976 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.62 82.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.241 -1.537 . . . . 0.0 109.122 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.98 -39.9 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.52 -0.738 . . . . 0.0 109.895 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -39.56 87.57 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.234 -0.916 . . . . 0.0 108.73 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -60.14 -41.89 93.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 0.0 109.087 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -66.44 -39.17 88.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.381 -0.824 . . . . 0.0 109.674 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.98 -39.88 87.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.845 -1.159 . . . . 0.0 108.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.94 -39.87 87.03 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.617 -1.302 . . . . 0.0 108.136 178.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 51' ' ' ASP . 56.4 t0 -60.15 -39.84 87.77 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.76 -39.76 85.89 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.381 -0.824 . . . . 0.0 108.984 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.618 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.94 -36.74 77.7 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.935 -1.103 . . . . 0.0 108.759 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.82 -39.82 86.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.356 -0.84 . . . . 0.0 109.437 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.59 114.26 12.8 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.907 -1.121 . . . . 0.0 109.648 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -134.36 -70.37 0.51 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.855 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.36 87.85 1.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.288 -0.883 . . . . 0.0 108.697 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.409 ' C ' ' H ' ' B' ' 60' ' ' ALA . 63.1 m95 -105.51 147.11 28.7 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.11 4.6 8.18 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 179.357 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.507 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -73.91 23.78 0.08 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.729 -0.865 . . . . 0.0 109.071 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.568 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -157.1 114.79 3.15 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.819 . . . . 0.0 109.384 179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.83 12.72 20.94 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.313 -0.867 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.466 ' CD ' HH21 ' A' ' 63' ' ' ARG . 62.3 mtt-85 -131.46 25.06 4.8 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.253 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.568 ' NE2' ' HB1' ' B' ' 61' ' ' ALA . 43.2 mt-30 -140.74 151.3 44.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -179.418 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.65 58.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.784 -1.198 . . . . 0.0 109.064 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 157.88 39.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.406 -0.809 . . . . 0.0 109.399 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.71 134.6 49.57 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -97.63 120.29 37.73 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.194 -0.941 . . . . 0.0 110.672 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.584 ' O ' HG23 ' B' ' 69' ' ' THR . 12.0 t -118.12 121.59 40.93 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.44 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t -126.61 85.16 61.02 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 109.234 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.32 65.28 8.31 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 122.578 2.186 . . . . 0.0 112.039 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.409 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 29.5 t90 -69.81 135.26 87.84 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.4 -0.812 . . . . 0.0 109.201 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.409 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 72.5 Cg_exo -39.36 148.64 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.244 0 C-N-CA 121.563 1.508 . . . . 0.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 43.8 t30 -129.98 -60.14 1.03 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.59 125.32 34.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -79.97 112.37 17.21 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.322 -178.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.3 mt -78.73 135.81 37.24 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.551 0.691 . . . . 0.0 109.82 -178.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.599 ' O ' HG23 ' B' ' 78' ' ' THR . 7.5 t -90.98 113.72 59.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -91.82 -48.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.566 1.511 . . . . 0.0 114.38 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -122.06 -43.69 2.32 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.208 -0.932 . . . . 0.0 113.499 -176.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.643 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.89 -47.94 83.73 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.57 -1.331 . . . . 0.0 112.678 -176.003 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.643 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 62.2 t30 -72.85 -46.92 50.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.124 -1.61 . . . . 0.0 110.126 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -59.87 -50.08 75.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 110.395 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.08 -44.9 96.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.916 -1.115 . . . . 0.0 109.46 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 81' ' ' TRP . 53.9 p -68.91 -39.95 79.37 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.328 -0.858 . . . . 0.0 109.598 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -65.77 -39.98 91.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.874 -1.141 . . . . 0.0 109.254 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -60.03 -41.35 92.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.689 -1.257 . . . . 0.0 108.442 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.34 -42.83 96.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.9 t90 -60.47 -49.21 78.47 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 179.038 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.67 -41.08 98.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.906 . . . . 0.0 109.937 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -63.66 -40.24 96.36 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.171 -0.956 . . . . 0.0 110.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.76 -42.57 97.69 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.514 -1.275 . . . . 0.0 108.786 179.215 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 66.5 t -61.58 -41.16 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.27 -0.894 . . . . 0.0 108.92 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.8 t0 -60.01 -47.61 85.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.503 -0.748 . . . . 0.0 110.028 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.71 -45.25 94.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.776 -1.202 . . . . 0.0 109.613 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.46 -42.79 95.74 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.403 -0.919 . . . . 0.0 109.069 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 101' ' ' THR . 86.4 tt0 -60.6 -48.15 83.07 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.301 -0.874 . . . . 0.0 109.238 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.23 -44.38 95.24 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.376 -0.827 . . . . 0.0 109.623 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.478 HD22 ' C ' ' B' ' 99' ' ' ASN . 0.3 OUTLIER -65.19 -40.46 94.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.303 -0.873 . . . . 0.0 109.47 -179.489 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 20' ' ' VAL . 83.1 mt -65.18 -41.24 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.297 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.414 HG23 ' O ' ' B' ' 97' ' ' GLU . 41.0 p -62.24 -40.86 97.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.928 -1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.91 83.43 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.4 -0.813 . . . . 0.0 109.527 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.79 -43.19 99.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.214 -0.929 . . . . 0.0 109.099 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.47 -46.53 89.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.96 -49.65 76.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 0.0 109.399 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.79 -40.97 94.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.71 98.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.005 -1.06 . . . . 0.0 109.358 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.18 -47.47 85.82 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.091 -1.006 . . . . 0.0 109.116 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.1 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.074 -1.016 . . . . 0.0 109.286 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -65.24 -39.96 93.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.57 -0.706 . . . . 0.0 109.842 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -59.89 -48.41 81.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.403 -0.81 . . . . 0.0 108.965 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.02 -40.97 95.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.119 -0.988 . . . . 0.0 109.492 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.44 -40.81 97.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.1 -1.0 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.32 -42.96 87.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.0 109.809 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 16.0 ttt -69.62 -40.3 76.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.276 -0.89 . . . . 0.0 108.797 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.03 -48.22 82.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.345 -0.847 . . . . 0.0 109.425 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.43 -40.14 93.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.033 -1.042 . . . . 0.0 109.669 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.25 -41.55 93.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.459 -0.776 . . . . 0.0 109.733 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.0 mt-30 -61.78 -39.92 93.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.552 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.12 -39.45 86.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.45 -0.781 . . . . 0.0 109.216 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.36 -47.33 85.83 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -124.19 62.58 1.09 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.437 -0.79 . . . . 0.0 109.067 178.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.08 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.16 145.65 35.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.372 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -88.44 62.91 6.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.384 -0.823 . . . . 0.0 108.797 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -63.06 -40.13 96.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.552 -0.717 . . . . 0.0 109.229 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.515 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.48 -43.07 97.36 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.105 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.515 ' N ' HG23 ' C' ' 5' ' ' THR . 58.9 tp -62.4 -42.86 99.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.299 -0.876 . . . . 0.0 109.105 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.74 -39.96 90.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.72 -46.25 61.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.626 -1.79 . . . . 0.0 108.626 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.19 -49.14 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.583 -0.951 . . . . 0.0 109.555 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.09 -45.62 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.134 -0.979 . . . . 0.0 109.286 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.6 -39.65 88.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.086 . . . . 0.0 109.717 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.13 -41.55 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.395 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.75 -40.89 96.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.927 -1.108 . . . . 0.0 109.538 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -61.37 -42.5 98.81 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.035 -1.041 . . . . 0.0 108.7 179.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.13 -41.73 98.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.289 -0.882 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.93 -41.19 95.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.344 -0.847 . . . . 0.0 109.093 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.1 -43.48 95.53 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -60.24 -48.21 82.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.306 -0.871 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.412 HG13 HG23 ' A' ' 100' ' ' ILE . 77.9 t -60.08 -41.09 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 109.487 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.92 -46.15 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.44 -0.787 . . . . 0.0 108.96 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.11 -42.51 94.89 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.526 0.679 . . . . 0.0 109.762 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.465 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 50.5 mtt-85 -60.82 -39.67 89.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.685 -0.635 . . . . 0.0 109.732 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -39.77 86.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.116 -0.99 . . . . 0.0 108.67 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.16 -48.09 83.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 108.835 179.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.61 -41.19 98.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.747 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.402 HD23 HD13 ' A' ' 28' ' ' LEU . 22.2 tp -62.16 -40.23 95.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 108.685 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.435 HD13 HD23 ' B' ' 27' ' ' LEU . 19.3 mt -60.22 -40.06 88.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.448 -0.782 . . . . 0.0 109.318 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.22 -40.29 89.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.307 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.3 mt -62.31 -41.81 98.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.129 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -63.82 -39.88 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.084 -1.01 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.26 -40.31 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 108.928 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.1 -41.5 92.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.33 -0.856 . . . . 0.0 110.245 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.66 -47.24 91.9 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.38 -49.95 75.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.893 -1.357 . . . . 0.0 109.462 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.429 -0.795 . . . . 0.0 109.585 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.684 HD21 ' NH2' ' C' ' 41' ' ' ARG . 60.0 t-20 -60.19 -40.46 90.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 109.79 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.18 -39.96 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.022 -1.049 . . . . 0.0 109.013 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.93 -40.05 87.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.979 -1.076 . . . . 0.0 109.63 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.1 p -60.1 -40.27 89.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.717 -1.239 . . . . 0.0 108.722 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.684 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.6 mtt-85 -64.08 -39.99 95.27 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.18 -41.47 86.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.333 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.0 p -61.31 -40.05 92.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.917 -1.114 . . . . 0.0 110.057 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.65 81.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.339 -1.476 . . . . 0.0 108.891 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.6 mt -63.65 -40.1 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 109.86 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -39.8 87.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.097 -1.002 . . . . 0.0 108.841 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -60.05 -41.65 92.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.344 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 47.2 m-85 -66.98 -38.95 87.0 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.367 -0.833 . . . . 0.0 109.695 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.12 -39.9 87.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.89 -1.131 . . . . 0.0 108.497 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.89 -40.01 87.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.563 -1.335 . . . . 0.0 108.378 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -60.12 -39.77 87.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.296 -0.878 . . . . 0.0 108.722 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.53 -40.01 85.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.125 -0.984 . . . . 0.0 109.059 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.96 -36.45 77.14 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.955 -1.091 . . . . 0.0 108.758 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.97 -39.78 86.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.065 -1.022 . . . . 0.0 109.338 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 74.1 mt -74.6 114.28 12.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.832 -1.168 . . . . 0.0 109.643 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -134.12 -70.14 0.52 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -0.909 . . . . 0.0 109.92 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.41 87.88 1.75 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.442 -0.786 . . . . 0.0 108.913 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.409 ' C ' ' H ' ' C' ' 60' ' ' ALA . 64.0 m95 -105.42 147.67 27.99 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.518 -0.739 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 62.83 4.48 7.32 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.51 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -73.57 23.81 0.07 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.462 -1.022 . . . . 0.0 109.388 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.576 ' HB1' ' NE2' ' C' ' 64' ' ' GLN . . . -157.48 114.98 3.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -111.88 12.62 20.86 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 121.374 -0.829 . . . . 0.0 110.835 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.502 HH21 ' CD ' ' A' ' 63' ' ' ARG . 62.5 mtt-85 -131.45 24.74 4.8 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.267 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.576 ' NE2' ' HB1' ' C' ' 61' ' ' ALA . 42.2 mt-30 -140.38 151.61 45.1 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.58 57.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 120.878 -1.139 . . . . 0.0 109.101 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 157.89 39.65 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 0.0 109.833 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -127.37 134.12 49.97 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -97.65 120.33 37.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.222 -0.924 . . . . 0.0 110.779 -178.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.562 ' O ' HG23 ' C' ' 69' ' ' THR . 11.0 t -118.74 121.67 40.63 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.79 85.61 60.42 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.371 -0.831 . . . . 0.0 109.264 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.44 65.66 8.22 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.472 2.115 . . . . 0.0 111.96 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' C' ' 73' ' ' PRO . 27.2 t90 -69.94 134.81 87.65 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.142 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.4 Cg_exo -39.32 148.63 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.49 1.46 . . . . 0.0 111.529 179.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 42.9 t30 -129.96 -60.01 1.04 Allowed 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.583 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 125.4 34.46 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.5 t -80.02 112.41 17.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.323 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.8 135.95 37.22 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.725 0.774 . . . . 0.0 109.821 -178.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.604 HG23 ' O ' ' C' ' 78' ' ' THR . 7.4 t -91.09 113.65 58.95 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.59 -48.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.81 1.674 . . . . 0.0 114.43 -179.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -121.77 -43.71 2.35 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -59.91 -48.04 83.3 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.432 -1.418 . . . . 0.0 112.752 -175.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.7 t30 -72.4 -46.8 53.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.082 -1.636 . . . . 0.0 110.161 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -60.18 -49.99 75.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.897 -1.127 . . . . 0.0 110.469 -178.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.18 -44.88 96.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.957 -1.089 . . . . 0.0 109.433 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 81' ' ' TRP . 45.5 p -68.83 -40.04 79.65 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.12 -0.987 . . . . 0.0 109.792 -179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -65.38 -39.98 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.976 -1.078 . . . . 0.0 109.41 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.15 -42.14 94.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.814 -1.179 . . . . 0.0 108.297 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -42.91 95.6 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.503 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.2 t90 -60.06 -49.43 77.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.081 178.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.97 -42.78 99.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.709 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -62.11 -40.89 97.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 110.401 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.57 -42.71 97.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.614 -1.304 . . . . 0.0 108.948 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.6 -40.79 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.3 -0.875 . . . . 0.0 108.857 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.1 -48.12 83.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.865 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -60.3 -45.46 93.3 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.927 -1.108 . . . . 0.0 109.597 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.3 -42.82 96.18 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.942 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.418 ' O ' HG23 ' C' ' 101' ' ' THR . 86.1 tt0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.417 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.1 -44.06 95.11 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.454 -0.779 . . . . 0.0 109.701 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.455 HD22 ' C ' ' C' ' 99' ' ' ASN . 0.4 OUTLIER -64.92 -40.97 95.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 109.481 -179.644 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.423 HG23 HG13 ' B' ' 20' ' ' VAL . 83.7 mt -65.07 -40.74 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.47 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.8 p -62.81 -40.67 98.11 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.993 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -48.69 80.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.296 -0.878 . . . . 0.0 109.446 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -43.56 98.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.14 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -46.57 89.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.117 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.1 -49.77 76.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.411 -0.806 . . . . 0.0 109.315 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.23 -41.38 92.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.452 -0.78 . . . . 0.0 109.419 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.7 97.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.863 . . . . 0.0 109.622 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.09 -47.61 85.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.353 -0.842 . . . . 0.0 109.243 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.198 -0.939 . . . . 0.0 109.21 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -65.05 -40.15 94.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.39 -0.819 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -60.06 -48.72 80.56 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.32 -0.863 . . . . 0.0 109.123 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.42 -41.16 93.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.066 -1.021 . . . . 0.0 109.506 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.38 -40.84 97.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.979 -1.075 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -66.57 -42.64 86.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.808 -1.182 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 15.8 ttt -69.83 -40.12 76.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.269 -0.895 . . . . 0.0 108.831 179.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.14 -47.99 83.58 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.405 -0.809 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.48 -40.28 94.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.947 -1.096 . . . . 0.0 109.402 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.11 -41.07 91.82 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 109.781 -179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.082 -1.011 . . . . 0.0 109.644 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.79 -38.86 83.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.294 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.62 -47.53 85.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -123.73 62.17 1.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.0 p . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.52 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.9 mt-30 -75.44 144.99 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 0.0 109.138 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -88.32 58.41 4.72 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.137 -0.977 . . . . 0.0 109.139 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -65.06 -40.0 94.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.569 -0.707 . . . . 0.0 109.662 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.4 t -60.5 -42.49 96.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.188 -0.945 . . . . 0.0 109.287 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 62.6 tp -64.45 -40.68 96.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.991 -1.068 . . . . 0.0 108.917 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.79 -40.02 93.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.331 -0.856 . . . . 0.0 109.733 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.92 93.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.872 -1.143 . . . . 0.0 109.087 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.26 81.12 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.05 -48.92 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -1.073 . . . . 0.0 109.475 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.95 -43.54 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.111 -0.993 . . . . 0.0 108.998 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -60.15 -39.96 88.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.9 tp-100 -60.29 -41.51 93.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 109.813 -179.339 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.36 -41.84 94.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.008 -1.057 . . . . 0.0 109.472 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.36 -42.61 96.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.344 -0.848 . . . . 0.0 109.141 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.6 mt-30 -62.13 -42.81 99.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.707 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.01 -41.48 99.57 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.407 -0.808 . . . . 0.0 109.25 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD23 ' A' ' 104' ' ' LEU . 60.9 tp -61.42 -40.86 95.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.268 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -48.58 81.14 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.331 -0.856 . . . . 0.0 109.721 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.98 -41.25 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.969 . . . . 0.0 109.644 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.19 -44.91 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.4 -41.69 94.4 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.517 -0.74 . . . . 0.0 109.014 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.575 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 42.7 mtt-85 -61.57 -40.4 94.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.318 -0.864 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.995 -1.066 . . . . 0.0 109.417 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.07 -48.98 79.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.188 -0.945 . . . . 0.0 109.491 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.89 -40.59 96.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.154 -0.966 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.25 -40.7 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.209 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.11 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.414 -0.804 . . . . 0.0 109.195 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -40.22 88.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.87 -1.144 . . . . 0.0 109.516 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.0 mt -60.9 -42.84 98.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.254 179.48 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -61.86 -40.08 94.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.14 -0.975 . . . . 0.0 109.48 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.23 -40.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.777 . . . . 0.0 109.08 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.05 -43.25 95.52 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.577 -0.702 . . . . 0.0 110.084 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -47.44 91.01 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.363 -1.399 . . . . 0.0 109.984 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.97 -49.83 76.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.756 -179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.63 -39.93 95.6 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 109.302 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.607 HD21 ' NH2' ' A' ' 41' ' ' ARG . 44.6 t-20 -59.84 -40.06 87.24 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.126 -0.984 . . . . 0.0 109.739 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.28 -39.94 88.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.057 -1.027 . . . . 0.0 109.291 178.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -59.78 -40.01 86.82 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.203 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 62.6 p -60.22 -40.21 89.34 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.008 -1.057 . . . . 0.0 108.259 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.607 ' NH2' HD21 ' A' ' 37' ' ' ASN . 28.7 mtt-85 -64.51 -40.16 95.12 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.93 -41.31 88.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.549 -0.719 . . . . 0.0 109.361 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 40' ' ' THR . 49.1 p -59.65 -40.28 87.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.888 -1.132 . . . . 0.0 109.317 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.8 96.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.149 -0.969 . . . . 0.0 108.975 179.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.22 -39.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.732 -0.605 . . . . 0.0 109.634 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.87 -40.27 88.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.259 -0.901 . . . . 0.0 109.185 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.92 -41.78 96.83 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.385 -0.822 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 60.1 m-85 -69.52 -38.32 77.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.146 -0.971 . . . . 0.0 110.063 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.836 -1.165 . . . . 0.0 108.148 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.03 -40.65 90.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.771 -1.206 . . . . 0.0 108.169 178.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 60.2 t0 -60.17 -39.61 87.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.504 -0.747 . . . . 0.0 109.112 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.62 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.11 -40.08 84.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 108.636 -179.407 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.62 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.229 -0.92 . . . . 0.0 109.21 179.246 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 109.009 -179.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.09 113.82 11.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.795 -1.191 . . . . 0.0 108.895 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 25.4 m120 -133.07 -62.32 0.8 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.178 -0.951 . . . . 0.0 109.098 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.94 86.78 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -104.13 140.08 38.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.588 -0.695 . . . . 0.0 110.018 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 69.65 1.94 33.32 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.477 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.507 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -71.14 23.55 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.604 -0.939 . . . . 0.0 109.703 -179.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.56 112.9 2.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.026 -1.046 . . . . 0.0 109.506 179.32 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -108.89 13.14 25.02 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.394 -0.816 . . . . 0.0 109.531 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -123.27 21.93 9.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.362 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.602 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.07 151.78 36.26 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.051 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.15 61.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.056 -1.027 . . . . 0.0 108.894 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.0 157.78 41.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.301 -0.875 . . . . 0.0 109.761 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -126.49 132.82 51.33 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 68' ' ' THR . 7.3 t -99.62 121.38 41.12 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.263 -0.898 . . . . 0.0 110.896 -177.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 69' ' ' THR . 9.1 t -113.19 121.31 44.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.435 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 95.6 t -127.18 90.99 47.68 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.4 -0.812 . . . . 0.0 109.737 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.07 68.11 6.74 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.445 2.097 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 53.7 t90 -68.12 132.77 91.79 Favored Pre-proline 0 N--CA 1.49 1.526 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.443 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.6 Cg_exo -38.16 148.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 121.333 1.355 . . . . 0.0 111.248 -179.773 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 53.4 t30 -130.41 -60.24 1.0 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.281 -0.887 . . . . 0.0 109.39 -179.079 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.49 125.14 34.13 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -80.85 109.47 15.45 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.219 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.49 136.43 36.31 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 78' ' ' THR . 8.3 t -87.44 115.93 64.45 Favored Pre-proline 0 N--CA 1.49 1.546 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 21.9 Cg_endo -93.22 -47.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.478 1.452 . . . . 0.0 114.287 -179.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -121.79 -44.63 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.32 -0.862 . . . . 0.0 113.304 -177.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -59.84 -49.59 77.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.524 -1.36 . . . . 0.0 112.672 -175.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.5 t30 -71.64 -40.5 69.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.043 -1.661 . . . . 0.0 110.236 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 79' ' ' PRO . 91.7 m-20 -59.96 -50.24 74.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.033 -1.042 . . . . 0.0 110.715 -178.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.97 -1.081 . . . . 0.0 109.519 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.5 p -69.4 -39.97 77.64 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.185 -0.947 . . . . 0.0 109.629 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -67.09 -40.05 86.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.072 -1.017 . . . . 0.0 108.955 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -41.73 93.3 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.876 -1.14 . . . . 0.0 108.565 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.125 -0.984 . . . . 0.0 108.756 178.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.402 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -60.21 -49.0 79.36 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.17 -42.13 99.34 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' HG2' HH11 ' A' ' 91' ' ' ARG . 49.9 mtt-85 -61.82 -41.58 97.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.336 -179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.16 -44.28 95.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.71 -40.45 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.419 -0.8 . . . . 0.0 109.47 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.44 -43.81 96.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.55 -0.719 . . . . 0.0 110.564 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -67.5 -40.39 85.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.439 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -41.47 97.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -44.84 89.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.867 -1.146 . . . . 0.0 109.194 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -48.81 80.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.236 -0.915 . . . . 0.0 109.307 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.58 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 34.5 t-20 -60.31 -46.64 89.16 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.397 -0.814 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.08 -43.97 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 p -60.92 -42.3 97.84 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.987 -1.071 . . . . 0.0 109.726 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.51 85.86 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.564 179.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.55 HD11 ' HE ' ' C' ' 23' ' ' ARG . 95.0 mt -61.78 -42.47 99.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.192 -0.943 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.408 HD23 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -60.35 -48.8 80.17 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.271 -0.893 . . . . 0.0 108.982 179.492 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.08 -46.11 90.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 0.0 109.409 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -64.36 -40.18 95.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.341 -0.849 . . . . 0.0 109.094 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.62 99.58 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.301 -0.874 . . . . 0.0 109.438 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -49.52 77.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.167 -0.958 . . . . 0.0 109.088 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.2 -50.05 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.302 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.58 -42.28 98.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.387 -0.821 . . . . 0.0 109.376 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.16 -49.05 79.15 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.73 -41.34 97.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -0.828 . . . . 0.0 109.4 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.68 -41.69 99.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.0 109.157 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.54 -45.03 92.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.15 -0.969 . . . . 0.0 109.19 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.2 ttp -65.01 -40.09 94.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.304 -0.872 . . . . 0.0 108.675 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -60.67 -44.88 95.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.54 -0.725 . . . . 0.0 109.693 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.52 -40.7 92.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.018 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.66 -40.57 92.54 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -62.84 -40.0 96.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 110.308 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -60.43 -39.53 87.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.129 -0.982 . . . . 0.0 108.997 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.75 -47.52 84.37 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -126.85 61.22 1.34 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.103 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.8 mt-30 -75.46 144.74 41.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.07 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -88.57 57.98 4.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.086 -1.009 . . . . 0.0 108.99 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -64.51 -39.85 94.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.38 -0.825 . . . . 0.0 109.507 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.51 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.1 t -60.42 -43.01 97.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 0.0 109.283 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.51 ' N ' HG23 ' B' ' 5' ' ' THR . 61.4 tp -63.82 -40.95 97.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.973 . . . . 0.0 108.845 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.55 -39.58 91.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.28 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.913 -1.117 . . . . 0.0 109.059 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.63 -46.41 84.36 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -48.85 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.502 -0.999 . . . . 0.0 109.509 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.81 -43.28 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.102 -0.999 . . . . 0.0 108.964 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.5 -40.5 91.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.265 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -41.62 92.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.747 -179.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.24 -42.19 94.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.84 -1.163 . . . . 0.0 109.499 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.01 -43.45 95.23 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.02 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.699 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.35 -41.95 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.34 -0.85 . . . . 0.0 109.328 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.408 HD11 HD23 ' B' ' 104' ' ' LEU . 61.5 tp -61.46 -40.63 95.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.908 . . . . 0.0 109.4 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.03 -48.28 82.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.113 -0.992 . . . . 0.0 109.84 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.19 -41.08 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.941 -1.1 . . . . 0.0 109.593 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -45.2 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.922 . . . . 0.0 109.287 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.04 -41.63 92.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.0 109.23 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.586 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 42.4 mtt-85 -62.15 -40.21 95.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.53 -0.731 . . . . 0.0 109.591 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.12 -39.78 87.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.078 -1.014 . . . . 0.0 109.413 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -60.24 -48.85 79.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 109.52 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.13 -40.72 96.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.985 -1.072 . . . . 0.0 109.471 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -60.93 -40.37 92.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.293 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.819 . . . . 0.0 109.327 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.48 90.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.934 -1.103 . . . . 0.0 109.302 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.3 mt -60.82 -42.37 97.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.084 -1.01 . . . . 0.0 109.193 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -62.57 -40.09 95.76 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.309 -0.869 . . . . 0.0 109.511 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.17 -40.09 82.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.477 -0.764 . . . . 0.0 108.955 179.496 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.28 -42.83 96.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 110.138 -179.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.8 89.22 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.12 -49.86 75.98 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.948 -1.325 . . . . 0.0 109.912 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -63.24 -39.96 96.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.085 -1.01 . . . . 0.0 109.455 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.618 HD21 ' NH2' ' B' ' 41' ' ' ARG . 45.1 t-20 -59.89 -40.21 87.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 109.524 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.23 -39.75 87.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.89 -1.131 . . . . 0.0 109.347 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -60.13 -39.97 88.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.212 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 56.6 p -60.77 -40.07 91.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.618 ' NH2' HD21 ' B' ' 37' ' ' ASN . 28.3 mtt-85 -64.41 -40.08 95.09 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.36 -41.62 87.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.527 -0.733 . . . . 0.0 109.116 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.4 p -59.82 -40.04 87.11 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.481 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.19 94.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 178.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -59.94 -39.82 81.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.748 -0.595 . . . . 0.0 109.759 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.01 -40.09 88.07 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -178.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -61.17 -41.86 97.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.448 -0.783 . . . . 0.0 109.665 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.31 -38.25 78.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 110.231 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.09 -40.07 88.35 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.93 -1.106 . . . . 0.0 108.282 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.1 -40.55 90.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.566 -1.334 . . . . 0.0 107.89 178.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.06 -39.77 87.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.466 -0.771 . . . . 0.0 108.988 179.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.07 -39.95 83.71 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.098 -1.001 . . . . 0.0 109.003 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.636 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.35 -35.16 75.03 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.152 -0.967 . . . . 0.0 109.261 179.269 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.37 -39.82 84.53 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.284 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.59 113.95 12.44 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 108.812 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.5 m120 -132.87 -62.46 0.81 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.31 -0.869 . . . . 0.0 109.208 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.53 86.38 1.47 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.016 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -103.96 140.2 38.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.687 -0.633 . . . . 0.0 109.908 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.37 1.85 30.68 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 179.476 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -71.14 23.56 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.456 -1.026 . . . . 0.0 109.834 -179.265 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.52 112.82 2.77 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.109 -0.994 . . . . 0.0 109.548 179.53 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -109.32 13.1 24.42 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.451 -0.781 . . . . 0.0 109.509 179.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' B' ' 63' ' ' ARG . 0.3 OUTLIER -123.26 21.93 9.48 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.435 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.622 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -148.26 151.74 35.95 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.07 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.97 61.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.993 -1.067 . . . . 0.0 109.032 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.72 157.92 41.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.192 -0.943 . . . . 0.0 109.778 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -126.46 133.0 51.32 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 68' ' ' THR . 7.4 t -100.01 121.4 41.3 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.881 0.848 . . . . 0.0 110.78 -177.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.528 ' O ' HG23 ' B' ' 69' ' ' THR . 8.3 t -113.38 121.84 45.56 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.423 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 93.3 t -127.03 91.09 47.74 Favored Pre-proline 0 N--CA 1.501 2.105 0 O-C-N 121.358 -0.839 . . . . 0.0 109.753 -179.57 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -83.84 68.3 6.87 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.54 2.16 . . . . 0.0 112.521 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 50.2 t90 -68.43 132.57 91.3 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 78.3 Cg_exo -38.05 148.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.319 1.346 . . . . 0.0 111.401 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 51.0 t30 -130.04 -60.22 1.03 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.332 -0.855 . . . . 0.0 109.429 -179.292 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.15 34.08 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.8 t -81.09 109.88 16.07 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 118.808 -1.157 . . . . 0.0 108.208 -179.034 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 mt -80.94 136.41 36.03 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.434 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.593 ' O ' HG23 ' B' ' 78' ' ' THR . 9.0 t -87.55 116.22 65.44 Favored Pre-proline 0 C--N 1.301 -1.52 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.438 ' O ' ' ND2' ' B' ' 83' ' ' ASN . 18.6 Cg_endo -93.58 -47.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.573 1.516 . . . . 0.0 114.25 -179.703 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -122.04 -44.3 2.3 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.4 p90 -60.23 -49.81 76.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.578 -1.327 . . . . 0.0 112.468 -175.841 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.9 t30 -71.75 -40.31 69.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.078 -1.639 . . . . 0.0 110.17 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 79' ' ' PRO . 91.6 m-20 -60.0 -50.08 75.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.975 . . . . 0.0 110.609 -178.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.18 -46.63 89.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.908 -1.12 . . . . 0.0 109.453 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 48.2 p -69.48 -40.09 77.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.979 -1.075 . . . . 0.0 109.658 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -67.0 -39.87 87.2 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.089 -1.044 . . . . 0.0 109.115 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.17 -42.06 94.18 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.79 -1.194 . . . . 0.0 108.468 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.48 -40.25 90.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.09 -1.006 . . . . 0.0 108.804 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.45 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -59.95 -49.95 75.68 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.28 -42.3 99.23 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.332 -0.855 . . . . 0.0 110.034 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' B' ' 91' ' ' ARG . 50.7 mtt-85 -61.81 -41.24 97.52 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.954 -1.092 . . . . 0.0 110.391 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -60.29 -44.12 95.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.96 -1.088 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.97 -40.4 87.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.285 -0.885 . . . . 0.0 109.11 179.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.26 -44.0 95.66 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.613 -0.679 . . . . 0.0 110.536 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -67.66 -39.91 84.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.801 -1.187 . . . . 0.0 109.622 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.66 -41.18 96.27 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.174 -0.954 . . . . 0.0 109.04 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.67 -44.43 90.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.127 . . . . 0.0 109.437 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.11 -49.19 78.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.367 -0.833 . . . . 0.0 109.258 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.575 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 34.5 t-20 -60.22 -46.55 89.36 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.462 -0.773 . . . . 0.0 109.373 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.21 -43.89 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.438 -0.789 . . . . 0.0 109.789 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 22.9 p -60.86 -42.46 97.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.901 -1.124 . . . . 0.0 109.658 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.44 90.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.731 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.482 HD11 ' HE ' ' A' ' 23' ' ' ARG . 94.7 mt -62.6 -42.23 99.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.246 -0.909 . . . . 0.0 109.226 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.408 HD23 HD11 ' B' ' 18' ' ' LEU . 84.7 mt -60.22 -49.2 78.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.271 -0.893 . . . . 0.0 109.162 179.414 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -45.62 92.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -64.52 -39.98 94.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.0 109.205 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.55 99.6 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.47 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.083 -1.011 . . . . 0.0 109.238 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.31 -50.0 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.213 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.05 -42.01 98.74 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.296 -0.877 . . . . 0.0 109.305 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.05 -49.39 77.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 108.603 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.21 -41.75 97.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -62.4 -42.01 99.11 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.012 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -62.73 -45.79 91.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.218 -0.926 . . . . 0.0 109.082 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.45 -40.26 95.37 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.282 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.17 -45.61 92.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.576 -0.702 . . . . 0.0 109.513 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.3 -40.71 91.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.349 -0.844 . . . . 0.0 109.021 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.05 -40.22 92.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.01 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 0.0 109.812 -179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -59.93 -39.93 87.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.986 -1.071 . . . . 0.0 109.115 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.94 -47.39 85.22 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -126.6 61.32 1.32 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.543 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.158 -0.964 . . . . 0.0 109.005 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.507 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.5 mt-30 -75.62 145.21 41.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.323 -0.861 . . . . 0.0 109.176 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -88.23 58.37 4.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.901 -1.124 . . . . 0.0 109.056 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.63 -40.28 95.19 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.359 -0.838 . . . . 0.0 109.456 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.25 -42.8 96.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 109.294 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' C' ' 5' ' ' THR . 62.6 tp -64.26 -40.42 95.97 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.925 -1.11 . . . . 0.0 108.861 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -62.03 -39.71 93.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.38 -0.825 . . . . 0.0 109.743 179.462 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.56 93.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.835 -1.166 . . . . 0.0 109.114 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.98 80.67 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 179.12 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -48.87 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.46 -1.023 . . . . 0.0 109.495 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.27 -43.57 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.793 -1.192 . . . . 0.0 108.918 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -60.26 -40.01 88.83 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.037 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -41.51 92.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 109.825 -179.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.09 -42.14 94.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.912 -1.118 . . . . 0.0 109.598 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.01 -43.33 95.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.452 -0.78 . . . . 0.0 109.168 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.38 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.333 -0.854 . . . . 0.0 109.641 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.76 -41.61 99.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.836 . . . . 0.0 109.183 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.405 HD11 HD23 ' C' ' 104' ' ' LEU . 60.4 tp -61.33 -40.78 95.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.246 -0.909 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -60.27 -48.51 81.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.909 . . . . 0.0 109.667 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.2 -40.78 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.117 -0.989 . . . . 0.0 109.593 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.36 -45.11 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.0 109.28 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.06 -41.28 92.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.58 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 43.5 mtt-85 -62.27 -39.91 94.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.555 -0.716 . . . . 0.0 109.622 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.94 -40.38 88.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.206 -0.934 . . . . 0.0 109.3 179.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.68 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.522 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.34 -40.7 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.077 -1.015 . . . . 0.0 109.453 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.22 -40.22 93.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.354 -0.841 . . . . 0.0 109.421 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.2 -39.95 88.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.0 109.031 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.52 -40.19 90.57 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.995 -1.066 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.402 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.6 mt -60.78 -42.42 97.51 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 80.9 p -62.5 -40.08 95.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.303 -0.873 . . . . 0.0 109.422 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.34 -39.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -60.01 -43.25 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.446 -0.784 . . . . 0.0 110.314 -179.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.74 89.53 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.858 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -60.05 -49.93 75.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.973 -1.31 . . . . 0.0 109.856 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.09 -40.04 96.48 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.148 -0.97 . . . . 0.0 109.289 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.602 HD21 ' NH2' ' C' ' 41' ' ' ARG . 45.5 t-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.106 -0.996 . . . . 0.0 109.627 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 38' ' ' LEU . 88.8 mt -60.51 -39.7 88.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 179.176 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -59.58 -40.51 87.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.058 -1.026 . . . . 0.0 109.144 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -60.02 -40.4 89.16 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.602 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -64.46 -40.11 95.09 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.8 -40.91 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 51.4 p -60.22 -40.0 88.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.921 -1.112 . . . . 0.0 109.221 -179.359 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.3 94.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 0.0 108.893 179.05 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.24 -39.64 81.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.639 -0.663 . . . . 0.0 109.703 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -40.37 88.86 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.132 -0.98 . . . . 0.0 108.956 -178.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.6 -41.75 95.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 60.0 m-85 -69.74 -38.11 76.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.174 -0.954 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.83 -40.05 87.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.969 -1.082 . . . . 0.0 108.253 179.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -60.1 -40.19 88.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.684 -1.26 . . . . 0.0 108.155 178.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.28 -39.66 87.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 109.007 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.627 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.18 -39.91 84.02 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 108.871 -179.6 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.627 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.43 -35.57 76.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 109.199 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.48 -39.95 85.37 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.252 -0.905 . . . . 0.0 109.049 -178.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.81 113.6 11.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.923 -1.111 . . . . 0.0 108.765 179.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 25.7 m120 -132.9 -62.88 0.79 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.239 -0.913 . . . . 0.0 109.157 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.2 86.48 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -104.13 140.41 37.83 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.537 -0.727 . . . . 0.0 109.98 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 69.28 1.59 28.67 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.502 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -71.05 23.38 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.584 -0.951 . . . . 0.0 109.7 -179.172 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.16 112.68 2.85 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.965 -1.085 . . . . 0.0 109.583 179.261 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -108.96 13.19 24.88 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.35 -0.844 . . . . 0.0 109.449 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' C' ' 63' ' ' ARG . 0.3 OUTLIER -123.31 21.87 9.46 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 178.575 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.609 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.38 151.4 35.22 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.053 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -107.54 61.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.157 -0.964 . . . . 0.0 108.871 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.56 157.79 41.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -126.69 132.92 51.05 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.048 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.444 ' O ' HG23 ' C' ' 68' ' ' THR . 6.8 t -99.89 121.42 41.29 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.369 -0.832 . . . . 0.0 111.054 -177.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.537 ' O ' HG23 ' C' ' 69' ' ' THR . 8.2 t -113.11 121.26 44.03 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.422 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 91.2 t -126.72 90.59 49.33 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.385 -0.822 . . . . 0.0 109.831 -179.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -83.87 68.51 6.8 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.383 2.055 . . . . 0.0 112.554 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.462 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 51.8 t90 -68.6 132.44 91.06 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.383 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 73.9 Cg_exo -37.56 148.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.44 1.427 . . . . 0.0 111.31 -179.698 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 51.4 t30 -129.98 -60.36 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.224 -0.923 . . . . 0.0 109.353 -179.344 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.38 125.19 34.11 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -80.92 109.74 15.78 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.161 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.86 136.28 36.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.495 0.664 . . . . 0.0 109.429 -178.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.605 HG23 ' O ' ' C' ' 78' ' ' THR . 8.6 t -87.18 116.09 64.92 Favored Pre-proline 0 N--CA 1.49 1.545 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . 0.461 ' O ' ' ND2' ' C' ' 83' ' ' ASN . 20.7 Cg_endo -93.5 -47.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.595 1.53 . . . . 0.0 114.202 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -122.07 -44.73 2.28 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.1 p90 -59.85 -49.72 76.6 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.494 -1.379 . . . . 0.0 112.566 -175.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.7 t30 -71.73 -40.26 69.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 119.975 -1.703 . . . . 0.0 110.125 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' C' ' 79' ' ' PRO . 91.7 m-20 -60.32 -49.99 75.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 0.0 110.527 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.25 -46.48 89.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.732 -1.23 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 48.1 p -69.41 -39.93 77.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.151 -0.968 . . . . 0.0 109.562 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -67.03 -40.16 87.16 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.001 -1.062 . . . . 0.0 109.045 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -59.97 -42.03 93.23 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.916 -1.115 . . . . 0.0 108.428 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.53 -40.33 91.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.012 -1.055 . . . . 0.0 108.626 179.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.454 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.9 t90 -59.98 -49.79 76.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 108.959 179.309 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.91 -41.26 99.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.937 . . . . 0.0 109.95 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' C' ' 91' ' ' ARG . 50.7 mtt-85 -62.57 -41.54 99.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.018 . . . . 0.0 110.196 -179.761 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.04 -44.31 94.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.791 -1.193 . . . . 0.0 109.222 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.93 -40.47 87.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.259 -0.901 . . . . 0.0 109.144 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.11 -44.22 95.02 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.337 -0.852 . . . . 0.0 110.666 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.18 -40.27 86.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.689 -1.257 . . . . 0.0 109.535 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.38 -41.13 96.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.235 -0.916 . . . . 0.0 109.528 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.85 -44.13 90.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.092 . . . . 0.0 109.293 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.38 -49.13 78.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.347 -0.846 . . . . 0.0 109.198 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 34.6 t-20 -60.07 -47.1 87.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.454 -0.779 . . . . 0.0 109.222 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.01 -44.05 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.812 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 23.2 p -60.83 -42.58 97.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.963 -1.086 . . . . 0.0 109.765 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.72 89.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.124 -0.985 . . . . 0.0 109.419 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.456 HD11 ' HE ' ' B' ' 23' ' ' ARG . 94.6 mt -62.05 -42.69 99.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.232 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.405 HD23 HD11 ' C' ' 18' ' ' LEU . 85.4 mt -59.98 -48.75 80.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -0.901 . . . . 0.0 109.082 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.93 -46.53 89.08 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.498 -0.751 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.03 -40.02 95.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.446 -0.784 . . . . 0.0 109.327 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.91 99.45 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 0.0 109.508 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.62 -49.22 78.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.137 -0.977 . . . . 0.0 109.125 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.26 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.296 -0.877 . . . . 0.0 109.255 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.98 -41.88 98.51 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.272 -0.893 . . . . 0.0 109.29 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -60.0 -49.3 78.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.86 . . . . 0.0 108.918 179.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.44 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -61.88 -42.62 99.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.35 -0.843 . . . . 0.0 109.061 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.54 -45.42 93.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 50.9 ttp -64.73 -40.51 95.46 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -60.12 -46.03 91.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.524 -0.735 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.06 -40.59 89.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.79 -40.62 93.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.45 -0.781 . . . . 0.0 109.033 179.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.549 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -62.7 -39.95 95.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.493 -0.754 . . . . 0.0 109.879 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.39 -39.18 86.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 109.128 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.32 -47.33 85.8 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -126.71 61.33 1.33 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.549 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.25 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.309 0.576 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -70.78 144.5 50.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.143 -0.973 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -90.09 59.13 4.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.339 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.49 -40.03 94.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.364 -0.835 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.1 t -60.0 -41.59 92.4 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.018 -1.051 . . . . 0.0 109.102 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 5' ' ' THR . 61.3 tp -60.76 -43.36 98.1 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.064 -1.022 . . . . 0.0 108.445 179.359 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.49 -40.05 93.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -0.785 . . . . 0.0 109.718 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.08 87.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.067 -1.02 . . . . 0.0 108.692 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.54 61.26 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -49.18 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.425 -1.044 . . . . 0.0 109.351 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.93 -46.12 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.139 -0.975 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.476 -0.765 . . . . 0.0 109.418 178.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -60.01 -42.53 94.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.457 -0.777 . . . . 0.0 109.241 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.14 -40.93 91.54 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.992 -1.068 . . . . 0.0 109.281 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.0 -41.04 91.23 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.288 -0.882 . . . . 0.0 109.442 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.2 mt-30 -65.34 -40.19 93.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.154 -0.966 . . . . 0.0 109.534 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.26 -40.09 93.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.0 108.996 179.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.97 -44.76 94.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.491 -0.756 . . . . 0.0 109.383 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.07 -46.7 88.68 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.225 -0.922 . . . . 0.0 110.248 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.92 -40.1 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.416 -179.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -44.89 95.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.046 -1.034 . . . . 0.0 108.806 -179.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.01 -40.03 91.98 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.329 -0.857 . . . . 0.0 109.43 179.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.651 ' NE ' ' ND2' ' B' ' 99' ' ' ASN . 31.5 mmt180 -60.0 -40.22 88.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.68 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.35 -40.03 89.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 108.946 179.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 73.4 tp60 -59.97 -48.02 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 108.922 179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.6 -44.59 96.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.48 -40.04 89.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.32 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.03 -39.98 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.35 -0.844 . . . . 0.0 109.407 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 57.8 mtt-85 -60.06 -40.59 89.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.986 -1.071 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.538 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.3 mt -62.87 -40.6 98.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -65.24 -39.99 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.441 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.566 ' CG1' ' NZ ' ' A' ' 36' ' ' LYS . 71.6 t -60.76 -40.8 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.435 -0.791 . . . . 0.0 109.366 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -60.01 -43.09 95.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.51 -46.77 92.71 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.08 -49.68 76.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.018 -1.284 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' NZ ' ' CG1' ' A' ' 32' ' ' VAL . 61.1 mttp -61.81 -39.92 93.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.969 -1.082 . . . . 0.0 110.051 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.748 HD21 HH21 ' A' ' 41' ' ' ARG . 55.4 t-20 -60.04 -40.56 89.79 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.247 -0.908 . . . . 0.0 109.573 -179.493 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.54 -39.99 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.143 -0.973 . . . . 0.0 109.578 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.119 -0.988 . . . . 0.0 109.956 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.3 p -60.06 -41.19 91.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.975 -1.078 . . . . 0.0 108.563 -179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.748 HH21 HD21 ' A' ' 37' ' ' ASN . 29.9 mtt-85 -63.15 -40.03 96.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -40.92 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.817 . . . . 0.0 109.3 179.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -60.11 -39.98 88.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.124 -0.985 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.34 82.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.944 -1.098 . . . . 0.0 109.272 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.12 -45.12 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.473 -0.767 . . . . 0.0 110.944 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.23 -39.33 89.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.296 . . . . 0.0 109.978 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.03 -40.0 87.81 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.159 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.0 m-85 -69.45 -39.21 77.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.049 -1.032 . . . . 0.0 109.442 178.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD2' HE22 ' C' ' 52' ' ' GLN . 64.5 mt -60.05 -39.93 87.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.933 -1.104 . . . . 0.0 108.874 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.02 -39.98 87.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 108.752 179.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.753 -1.217 . . . . 0.0 108.722 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.602 ' NE2' HD21 ' B' ' 74' ' ' ASN . 45.5 mt-30 -63.99 -37.3 86.92 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.585 179.137 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -53.96 -32.88 55.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.824 -1.172 . . . . 0.0 108.064 179.067 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.85 -39.36 84.9 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.8 mt -71.74 117.61 13.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 108.896 179.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 32.4 m120 -133.05 -70.29 0.54 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.244 -0.91 . . . . 0.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.33 88.17 1.36 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.336 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.419 ' CD1' ' N ' ' A' ' 58' ' ' TRP . 37.6 m95 -101.33 128.38 47.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.681 . . . . 0.0 109.974 -179.137 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 109.72 -5.84 31.15 Favored Glycine 0 N--CA 1.502 3.063 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.56 177.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.84 25.26 0.21 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.952 1.876 . . . . 0.0 109.132 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.554 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.22 102.86 15.15 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.35 -0.844 . . . . 0.0 109.723 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 15.6 m-85 -106.06 7.3 31.77 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.643 -1.285 . . . . 0.0 109.697 179.559 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -159.22 25.16 0.2 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.14 151.85 41.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.39 -0.819 . . . . 0.0 109.81 -178.333 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 t -110.22 57.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.03 159.4 44.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -120.34 134.77 55.2 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.561 -0.712 . . . . 0.0 109.118 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 68' ' ' THR . 14.5 t -92.96 120.51 33.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.106 -0.996 . . . . 0.0 110.43 -178.288 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 69' ' ' THR . 9.8 t -113.66 123.41 49.86 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' TRP . 40.8 t -127.38 82.16 68.74 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.31 -0.869 . . . . 0.0 109.982 -179.346 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.72 69.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.761 2.308 . . . . 0.0 112.386 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' VAL . 17.3 t90 -66.38 123.45 85.51 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.689 -1.257 . . . . 0.0 108.045 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 52.3 Cg_exo -37.34 147.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.659 1.573 . . . . 0.0 111.977 -179.26 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.598 HD21 ' NE2' ' C' ' 52' ' ' GLN . 17.0 t-20 -130.24 -60.82 1.0 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.462 -0.774 . . . . 0.0 109.289 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.06 124.67 34.98 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.6 p -81.11 107.54 14.0 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.8 135.69 37.15 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.663 0.744 . . . . 0.0 109.882 -178.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 78' ' ' THR . 7.7 t -91.01 113.89 59.67 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.725 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -90.81 -48.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.097 0 C-N-CA 121.687 1.591 . . . . 0.0 114.222 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.64 -43.68 2.37 Favored 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -176.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.98 -48.44 81.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.352 -1.467 . . . . 0.0 112.358 -175.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 62.7 t30 -72.17 -43.27 64.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.214 -1.554 . . . . 0.0 110.366 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.92 -50.07 75.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.974 . . . . 0.0 110.568 -178.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.59 -43.77 97.97 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.054 -1.029 . . . . 0.0 109.745 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.7 p -70.0 -39.94 75.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -67.8 -40.07 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.914 -1.116 . . . . 0.0 109.315 -179.241 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.5 ' C ' ' HE ' ' A' ' 91' ' ' ARG . 93.0 mt-30 -59.92 -41.26 91.36 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.615 -1.303 . . . . 0.0 108.399 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.502 ' N ' HH21 ' A' ' 91' ' ' ARG . 88.7 tt0 -62.32 -40.57 96.77 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.131 -0.98 . . . . 0.0 108.475 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 70.1 t90 -60.0 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.518 -0.739 . . . . 0.0 109.072 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.39 -40.59 96.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.198 -0.939 . . . . 0.0 109.54 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.502 HH21 ' N ' ' A' ' 88' ' ' GLU . 87.0 mtm180 -63.63 -41.04 98.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.082 -1.011 . . . . 0.0 110.267 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.59 -42.86 97.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 109.625 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.41 -41.67 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.898 -1.126 . . . . 0.0 109.401 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.91 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.414 -0.804 . . . . 0.0 110.134 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -62.12 -40.13 94.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.995 -1.066 . . . . 0.0 109.99 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.01 -40.82 78.46 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.117 -0.989 . . . . 0.0 109.359 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 54.0 tp10 -60.79 -45.73 93.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.248 -0.907 . . . . 0.0 108.836 179.059 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.99 -47.42 85.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 0.0 109.304 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.628 ' ND2' ' NE ' ' C' ' 23' ' ' ARG . 26.0 t30 -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.178 -0.951 . . . . 0.0 109.121 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -60.08 -43.3 95.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.316 -0.865 . . . . 0.0 108.983 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.62 80.96 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 108.969 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.95 -45.55 92.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.291 -0.881 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.14 -43.2 95.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.165 -0.959 . . . . 0.0 109.138 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.96 -49.91 75.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.173 -0.954 . . . . 0.0 109.031 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -61.0 -41.59 96.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 108.973 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.33 97.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.266 -0.897 . . . . 0.0 109.798 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -59.88 -48.69 80.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.63 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.07 -50.02 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 109.362 179.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 63.2 tt0 -62.64 -40.05 95.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.328 -0.857 . . . . 0.0 109.518 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -59.94 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.215 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.98 -45.64 92.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.146 -0.971 . . . . 0.0 109.055 179.718 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.03 -45.38 92.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.24 -44.52 97.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.08 -1.012 . . . . 0.0 109.178 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.62 -40.02 80.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.239 -0.913 . . . . 0.0 108.709 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.95 -48.62 80.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.523 -0.736 . . . . 0.0 109.504 179.656 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.05 90.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.268 -0.895 . . . . 0.0 109.7 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.66 -44.28 96.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.151 -0.968 . . . . 0.0 109.427 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.8 mt-30 -61.11 -40.07 92.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.2 -0.938 . . . . 0.0 109.677 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -59.97 -40.05 87.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 109.718 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.55 -46.81 87.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -125.92 62.74 1.23 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.637 -0.665 . . . . 0.0 109.34 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 117.981 -1.009 . . . . 0.0 108.955 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.3 mt-30 -70.83 144.52 50.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -90.04 59.39 4.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.089 -1.007 . . . . 0.0 109.306 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.71 -39.96 94.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 0.0 109.002 179.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.5 t -60.05 -41.46 92.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.2 -0.938 . . . . 0.0 109.075 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.526 ' N ' HG23 ' B' ' 5' ' ' THR . 61.8 tp -60.79 -43.71 97.76 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.14 -40.04 92.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.436 -0.79 . . . . 0.0 109.659 179.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.07 87.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.005 -1.059 . . . . 0.0 108.719 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.58 61.45 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 108.644 -1.782 . . . . 0.0 108.644 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -49.11 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.07 -46.13 94.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.402 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.488 -0.757 . . . . 0.0 109.383 178.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -60.04 -42.19 93.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.18 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.71 -40.45 92.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.053 -1.03 . . . . 0.0 109.12 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.21 -40.74 91.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.915 . . . . 0.0 109.493 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 28.3 mt-30 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.504 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.42 -40.0 92.81 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.141 -0.975 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.11 -44.73 94.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.567 -0.708 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -60.08 -46.83 88.27 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.118 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.96 -40.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -44.72 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.086 -1.009 . . . . 0.0 108.733 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.16 -39.98 92.15 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.49 -0.756 . . . . 0.0 109.444 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.606 ' NE ' ' ND2' ' C' ' 99' ' ' ASN . 31.8 mmt180 -60.09 -40.5 89.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.864 . . . . 0.0 109.429 -179.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 108.924 179.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.446 ' NE2' ' OE1' ' B' ' 97' ' ' GLU . 73.4 tp60 -59.99 -48.07 83.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.227 -0.921 . . . . 0.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.52 -44.21 97.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.131 -0.98 . . . . 0.0 109.58 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.89 -40.05 91.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.296 -0.877 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.97 -40.04 87.71 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.367 -0.833 . . . . 0.0 109.231 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.462 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 58.1 mtt-85 -59.93 -40.41 88.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.903 -1.123 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.516 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.0 mt -62.98 -40.92 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.003 -1.06 . . . . 0.0 109.562 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.8 p -65.13 -39.97 93.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.052 -1.03 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.552 ' CG1' ' NZ ' ' B' ' 36' ' ' LYS . 71.0 t -60.58 -40.84 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -60.01 -43.19 95.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.448 -0.782 . . . . 0.0 110.318 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.67 -46.67 93.02 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -1.232 . . . . 0.0 109.983 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.552 ' NZ ' ' CG1' ' B' ' 32' ' ' VAL . 61.1 mttp -61.47 -39.97 92.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.867 -1.146 . . . . 0.0 110.07 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.737 HD21 HH21 ' B' ' 41' ' ' ARG . 54.9 t-20 -60.05 -40.73 90.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 109.448 -179.282 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.26 -39.95 92.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.09 -1.006 . . . . 0.0 109.559 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.24 -40.96 92.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.216 -0.928 . . . . 0.0 109.963 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 72.7 p -60.4 -40.59 91.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.088 -1.008 . . . . 0.0 108.594 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.737 HH21 HD21 ' B' ' 37' ' ' ASN . 31.1 mtt-85 -63.74 -40.06 95.8 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.2 -40.42 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 0.0 109.267 179.538 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 75.2 p -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.961 -1.087 . . . . 0.0 109.28 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -41.6 83.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.903 -1.123 . . . . 0.0 109.317 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.96 -45.96 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.81 -179.233 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -39.62 87.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.621 -1.3 . . . . 0.0 110.113 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.521 -1.362 . . . . 0.0 109.01 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.5 m-85 -69.47 -39.05 77.95 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.957 -1.089 . . . . 0.0 109.596 178.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.06 -39.94 87.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.942 -1.099 . . . . 0.0 108.841 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.149 -0.969 . . . . 0.0 108.765 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.774 -1.204 . . . . 0.0 108.653 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.619 ' NE2' HD21 ' C' ' 74' ' ' ASN . 45.2 mt-30 -63.59 -37.94 89.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.037 -1.039 . . . . 0.0 109.623 178.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -53.6 -32.92 53.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.865 -1.147 . . . . 0.0 108.066 179.127 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.65 -39.2 83.6 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.052 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -72.19 117.24 13.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 108.873 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 32.6 m120 -132.6 -70.56 0.55 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 109.337 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.08 88.32 1.38 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 38.1 m95 -101.4 128.65 47.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.6 -0.688 . . . . 0.0 109.981 -179.272 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 109.73 -6.09 31.21 Favored Glycine 0 N--CA 1.502 3.081 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.662 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.81 25.21 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.939 -1.918 . . . . 0.0 109.12 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.18 103.1 15.4 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.532 -0.73 . . . . 0.0 109.702 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 15.2 m-85 -106.16 7.25 31.54 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.783 -1.198 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -159.33 24.93 0.2 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -142.99 151.59 41.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.427 -0.795 . . . . 0.0 109.943 -178.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -110.01 57.31 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.38 159.37 44.51 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.48 134.73 55.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 68' ' ' THR . 14.5 t -92.9 120.49 33.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.89 . . . . 0.0 110.428 -178.258 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.518 ' O ' HG23 ' B' ' 69' ' ' THR . 10.3 t -113.72 123.53 50.1 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' TRP . 41.5 t -127.58 82.03 69.06 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.386 -0.821 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.55 69.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.776 2.317 . . . . 0.0 112.465 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' VAL . 18.6 t90 -66.67 123.3 85.48 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 120.776 -1.203 . . . . 0.0 107.961 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' B' ' 72' ' ' TRP . 53.0 Cg_exo -37.35 147.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.599 1.532 . . . . 0.0 111.903 -179.037 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.602 HD21 ' NE2' ' A' ' 52' ' ' GLN . 17.2 t-20 -130.25 -60.78 1.0 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.398 -0.814 . . . . 0.0 109.128 -179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.34 124.94 35.33 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -81.41 107.58 14.3 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -78.96 135.66 37.0 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.644 0.735 . . . . 0.0 109.798 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.585 ' O ' HG23 ' B' ' 78' ' ' THR . 7.6 t -91.17 114.1 60.5 Favored Pre-proline 0 N--CA 1.491 1.613 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -91.19 -48.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.712 1.608 . . . . 0.0 114.179 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.75 -43.96 2.34 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -59.99 -48.36 82.03 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.422 -1.424 . . . . 0.0 112.422 -175.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.634 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.96 -43.62 64.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.215 -1.553 . . . . 0.0 110.425 -179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -59.98 -49.94 75.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.123 -0.986 . . . . 0.0 110.393 -178.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.7 -43.43 98.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.051 -1.031 . . . . 0.0 109.629 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 51.4 p -70.04 -40.01 75.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.123 -0.986 . . . . 0.0 110.215 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -67.75 -39.98 84.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.879 -1.138 . . . . 0.0 109.53 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . 0.506 ' C ' ' HE ' ' B' ' 91' ' ' ARG . 93.1 mt-30 -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.554 -1.342 . . . . 0.0 108.358 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.51 ' N ' HH21 ' B' ' 91' ' ' ARG . 88.6 tt0 -62.3 -40.53 96.6 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 108.496 178.517 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -59.95 -49.91 75.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.475 -0.765 . . . . 0.0 109.056 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.4 -39.96 94.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.51 HH21 ' N ' ' B' ' 88' ' ' GLU . 87.1 mtm180 -64.51 -40.79 96.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 110.1 -179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -60.87 -42.24 97.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.892 -1.13 . . . . 0.0 109.578 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.031 -1.043 . . . . 0.0 109.287 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.95 -47.93 83.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.463 -0.773 . . . . 0.0 110.183 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.41 -40.0 95.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.909 -179.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.27 -40.46 77.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.186 -0.946 . . . . 0.0 109.255 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.462 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 53.6 tp10 -61.08 -45.59 94.11 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 108.837 179.09 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.96 87.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.32 -0.863 . . . . 0.0 109.557 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.651 ' ND2' ' NE ' ' A' ' 23' ' ' ARG . 25.5 t30 -60.26 -45.39 93.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 109.436 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.97 -46.92 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.117 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.2 p -59.98 -43.49 95.1 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.335 -0.853 . . . . 0.0 109.084 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.34 82.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.424 -0.797 . . . . 0.0 109.11 179.363 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -45.68 92.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.447 -0.783 . . . . 0.0 109.115 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.08 -43.26 95.61 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.266 -0.896 . . . . 0.0 109.072 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.02 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.234 -0.916 . . . . 0.0 108.934 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -60.69 -41.41 95.11 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.052 -1.03 . . . . 0.0 109.319 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.99 97.75 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 109.655 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.0 -49.02 79.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.091 -1.006 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 95.3 mt -60.03 -50.07 81.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.143 -0.973 . . . . 0.0 109.227 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 63.2 tt0 -62.37 -40.04 95.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.32 -0.863 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -59.93 -49.39 77.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.91 . . . . 0.0 109.306 -179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.07 -45.54 92.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.011 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -60.05 -45.32 93.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.841 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.55 -44.52 96.88 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.076 -1.015 . . . . 0.0 109.126 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.49 -40.0 81.1 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.341 -0.849 . . . . 0.0 108.774 179.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.03 -48.64 80.88 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.638 -0.664 . . . . 0.0 109.412 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.57 92.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.29 -0.881 . . . . 0.0 109.594 -179.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.97 -44.73 94.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.143 -0.973 . . . . 0.0 109.38 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.79 -40.06 91.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.202 -0.936 . . . . 0.0 109.863 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -60.02 -39.9 87.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 0.0 109.63 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.82 -46.16 90.11 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -126.41 62.54 1.28 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.66 -0.65 . . . . 0.0 109.291 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 117.938 -1.029 . . . . 0.0 108.982 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.51 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.4 mt-30 -70.97 144.37 50.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 109.704 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -89.95 59.23 4.48 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.239 -0.913 . . . . 0.0 109.342 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -64.63 -40.03 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.378 -0.826 . . . . 0.0 109.196 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.519 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.0 t -59.92 -41.76 92.43 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.117 -0.99 . . . . 0.0 109.146 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.519 ' N ' HG23 ' C' ' 5' ' ' THR . 61.8 tp -60.76 -43.38 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.149 -0.969 . . . . 0.0 108.418 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.43 -39.96 92.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.449 -0.782 . . . . 0.0 109.614 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.1 87.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 108.745 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.95 -46.33 59.93 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -49.04 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.321 -1.105 . . . . 0.0 109.274 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.03 -46.19 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -59.96 -42.09 93.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.42 -0.8 . . . . 0.0 109.373 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.95 -40.13 92.13 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.083 -1.01 . . . . 0.0 109.016 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.39 -40.59 91.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.325 -0.86 . . . . 0.0 109.495 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.445 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.1 mt-30 -65.61 -40.02 92.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.0 109.66 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.5 -40.04 92.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.166 -0.959 . . . . 0.0 108.983 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.07 -44.66 94.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.613 -0.68 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.01 -47.02 87.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.269 -0.894 . . . . 0.0 110.104 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.94 -40.06 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 0.0 109.523 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.97 -44.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 108.859 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.1 -40.12 92.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.369 -0.832 . . . . 0.0 109.435 179.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.628 ' NE ' ' ND2' ' A' ' 99' ' ' ASN . 31.6 mmt180 -60.07 -40.37 89.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.23 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.13 -39.99 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.994 179.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.425 ' NE2' ' OE1' ' C' ' 97' ' ' GLU . 73.5 tp60 -59.98 -48.06 83.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.249 -0.907 . . . . 0.0 108.989 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.5 -44.3 97.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.215 -0.928 . . . . 0.0 109.613 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.73 -40.1 91.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 109.188 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 0.0 109.245 179.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.478 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 58.6 mtt-85 -60.1 -40.05 88.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.115 -0.991 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.0 mt -63.28 -40.5 97.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.007 -1.058 . . . . 0.0 109.74 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -65.26 -40.0 93.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.132 -0.98 . . . . 0.0 109.465 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . 0.557 ' CG1' ' NZ ' ' C' ' 36' ' ' LYS . 71.4 t -60.87 -40.76 86.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.232 -0.917 . . . . 0.0 109.409 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.95 -43.05 95.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.346 -179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.48 -47.09 91.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.13 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -1.232 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . 0.557 ' NZ ' ' CG1' ' C' ' 32' ' ' VAL . 61.2 mttp -61.27 -40.02 92.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.918 -1.114 . . . . 0.0 110.164 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.746 HD21 HH21 ' C' ' 41' ' ' ARG . 55.4 t-20 -59.97 -40.67 89.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 109.489 -179.399 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.27 -39.93 92.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.073 -1.017 . . . . 0.0 109.572 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.21 -40.96 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 0.0 110.112 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.49 -40.4 91.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.969 -1.082 . . . . 0.0 108.676 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.746 HH21 HD21 ' C' ' 37' ' ' ASN . 30.4 mtt-85 -63.84 -39.86 95.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -41.34 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.457 -0.777 . . . . 0.0 109.147 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 40' ' ' THR . 74.7 p -60.02 -40.01 87.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.054 -1.029 . . . . 0.0 109.212 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.71 83.49 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.84 -1.163 . . . . 0.0 109.312 179.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -59.95 -45.48 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.353 -0.842 . . . . 0.0 110.969 -179.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.59 -39.27 87.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.539 -1.351 . . . . 0.0 110.088 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.99 -40.1 88.03 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.71 -1.243 . . . . 0.0 109.111 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.5 m-85 -69.67 -39.16 77.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.077 -1.014 . . . . 0.0 109.449 178.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.11 -39.98 88.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.949 -1.094 . . . . 0.0 108.905 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.9 -40.06 87.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 108.769 178.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.02 -39.87 87.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.806 -1.183 . . . . 0.0 108.627 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.598 ' NE2' HD21 ' A' ' 74' ' ' ASN . 44.8 mt-30 -63.86 -37.83 88.86 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.047 -1.033 . . . . 0.0 109.495 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -53.47 -32.64 51.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.842 -1.161 . . . . 0.0 108.109 179.159 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.86 -39.18 84.36 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.22 117.47 13.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 108.919 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 32.8 m120 -132.74 -70.59 0.54 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.248 -0.907 . . . . 0.0 109.334 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.05 88.1 1.37 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.415 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 37.5 m95 -101.36 128.27 47.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.631 -0.668 . . . . 0.0 110.05 -179.32 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.11 -5.7 30.45 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.341 -0.849 . . . . 0.0 112.662 177.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.82 25.02 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.126 -1.808 . . . . 0.0 109.133 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.15 102.02 14.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.377 -0.827 . . . . 0.0 109.9 179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 14.6 m-85 -105.31 7.51 33.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.722 -1.236 . . . . 0.0 109.831 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -159.15 25.06 0.2 Allowed 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.92 151.94 41.51 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.321 -0.862 . . . . 0.0 109.832 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -110.17 56.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 177.718 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.01 159.31 44.5 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.14 134.33 55.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.563 -0.71 . . . . 0.0 109.182 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.573 ' O ' HG23 ' C' ' 68' ' ' THR . 14.4 t -92.75 120.52 33.22 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.181 -0.949 . . . . 0.0 110.456 -178.337 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.518 ' O ' HG23 ' C' ' 69' ' ' THR . 10.0 t -113.83 123.37 49.64 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' C' ' 72' ' ' TRP . 41.0 t -127.45 81.96 69.13 Favored Pre-proline 0 N--CA 1.501 2.077 0 O-C-N 121.404 -0.81 . . . . 0.0 109.933 -179.187 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -55.58 69.0 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.864 2.376 . . . . 0.0 112.384 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.53 ' N ' ' O ' ' C' ' 70' ' ' VAL . 16.9 t90 -66.29 123.36 85.19 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.491 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 52.0 Cg_exo -37.4 147.73 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.634 1.556 . . . . 0.0 111.924 -179.289 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.619 HD21 ' NE2' ' B' ' 52' ' ' GLN . 17.0 t-20 -130.28 -60.64 1.0 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.276 -0.89 . . . . 0.0 109.237 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.41 124.6 35.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 64.0 p -81.32 107.45 14.12 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -78.99 135.38 36.89 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.724 0.773 . . . . 0.0 109.909 -177.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.59 HG23 ' O ' ' C' ' 78' ' ' THR . 7.8 t -90.47 113.9 59.23 Favored Pre-proline 0 N--CA 1.49 1.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.93 -48.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.172 0 C-N-CA 121.523 1.482 . . . . 0.0 114.26 -179.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.71 -43.71 2.36 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -59.95 -48.45 81.65 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.451 -1.406 . . . . 0.0 112.309 -175.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.628 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.6 t30 -72.13 -43.38 64.8 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.144 -1.597 . . . . 0.0 110.347 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 110.463 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.63 -43.73 98.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.961 -1.087 . . . . 0.0 109.684 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 50.0 p -70.04 -40.06 75.37 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.073 -1.017 . . . . 0.0 110.097 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -67.52 -39.99 85.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.833 -1.167 . . . . 0.0 109.465 -179.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . 0.498 ' C ' ' HE ' ' C' ' 91' ' ' ARG . 92.8 mt-30 -59.99 -41.52 92.21 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.606 -1.308 . . . . 0.0 108.329 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.5 ' N ' HH21 ' C' ' 91' ' ' ARG . 88.6 tt0 -62.16 -40.44 95.99 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.039 -1.038 . . . . 0.0 108.458 178.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.516 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.95 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.45 -40.2 95.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.299 -0.875 . . . . 0.0 109.624 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . 0.5 HH21 ' N ' ' C' ' 88' ' ' GLU . 87.1 mtm180 -64.01 -40.94 97.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.105 -0.997 . . . . 0.0 110.218 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -60.57 -42.63 97.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.839 -1.163 . . . . 0.0 109.644 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.81 -41.4 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.419 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -59.87 -48.27 82.38 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.41 -0.806 . . . . 0.0 110.119 -179.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -62.15 -40.34 95.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.053 -1.029 . . . . 0.0 109.848 -179.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 76.6 mt -68.96 -40.7 78.72 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.187 -0.945 . . . . 0.0 109.329 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.478 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 53.9 tp10 -60.92 -45.76 93.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.165 -0.959 . . . . 0.0 108.887 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -47.28 86.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.286 -0.883 . . . . 0.0 109.334 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.606 ' ND2' ' NE ' ' B' ' 23' ' ' ARG . 26.4 t30 -59.94 -45.61 92.06 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.008 -1.057 . . . . 0.0 109.435 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.99 -46.7 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 0.0 109.122 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.7 p -59.96 -43.5 95.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.186 -0.946 . . . . 0.0 109.157 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.71 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.298 -0.876 . . . . 0.0 109.089 179.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.94 -45.69 91.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.23 -43.14 96.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.151 -0.968 . . . . 0.0 109.12 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.92 -49.64 76.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.226 -0.921 . . . . 0.0 108.96 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.27 -41.47 96.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.933 . . . . 0.0 109.15 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.67 98.39 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.168 -0.957 . . . . 0.0 109.661 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.01 -49.11 78.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.696 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.07 -49.8 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.236 -0.915 . . . . 0.0 109.335 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' B' ' 16' ' ' GLN . 63.2 tt0 -62.56 -40.09 95.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 0.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -59.96 -49.39 77.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -45.74 91.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.04 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.0 -45.46 92.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.722 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.15 -44.53 97.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.958 -1.089 . . . . 0.0 109.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.64 -40.05 80.44 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.522 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -60.01 -48.52 81.35 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.531 -0.73 . . . . 0.0 109.432 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.64 -40.64 92.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.933 . . . . 0.0 109.612 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.93 -44.54 94.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.292 -0.88 . . . . 0.0 109.483 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -61.0 -40.05 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.658 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.291 -0.88 . . . . 0.0 109.777 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.33 -46.98 87.12 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -125.91 62.81 1.23 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.592 -0.693 . . . . 0.0 109.28 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.478 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.098 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.492 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 95.9 mt-30 -70.86 144.05 50.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.301 -0.874 . . . . 0.0 109.808 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -90.79 58.48 3.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.281 -0.887 . . . . 0.0 109.245 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 58.4 mtt-85 -68.09 -40.02 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.2 -0.937 . . . . 0.0 109.302 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.1 t -60.97 -40.71 94.44 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.283 -0.886 . . . . 0.0 109.175 179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 5' ' ' THR . 63.6 tp -60.12 -43.79 95.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.05 -1.031 . . . . 0.0 108.406 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.18 -40.01 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.531 -0.73 . . . . 0.0 109.597 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.65 94.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.015 -1.053 . . . . 0.0 108.2 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.61 -45.4 85.09 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.95 -46.46 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -1.171 . . . . 0.0 109.619 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.6 t -59.98 -42.53 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.917 -1.114 . . . . 0.0 109.07 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.34 -39.97 89.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.96 -41.95 93.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.93 . . . . 0.0 109.687 -178.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HG3' HE21 ' B' ' 14' ' ' GLN . 97.5 mt-30 -61.04 -41.8 97.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.97 -1.081 . . . . 0.0 109.196 179.652 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -44.05 94.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.362 -0.836 . . . . 0.0 109.193 179.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 28.5 mt-30 -61.13 -42.67 98.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.208 -0.933 . . . . 0.0 109.3 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.37 -41.44 98.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.0 109.378 179.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD11 HD23 ' A' ' 104' ' ' LEU . 58.5 tp -60.03 -43.33 95.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.478 -0.764 . . . . 0.0 109.014 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 55.1 t0 -59.98 -49.16 78.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.692 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -59.99 -40.78 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -43.54 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.912 . . . . 0.0 108.95 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.89 -41.58 96.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.45 -0.781 . . . . 0.0 109.049 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HE ' HD11 ' B' ' 103' ' ' LEU . 58.0 mtt-85 -60.71 -40.09 90.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.653 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.173 -0.954 . . . . 0.0 108.601 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.01 -49.13 78.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.377 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.56 -42.23 98.36 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.994 -1.067 . . . . 0.0 109.499 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.33 -41.14 96.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 109.1 179.386 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.45 -0.781 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.1 -41.04 91.66 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.04 -1.038 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -60.98 -41.68 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.2 p -62.9 -40.01 96.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.055 -1.028 . . . . 0.0 109.581 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.25 -40.05 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.419 -0.8 . . . . 0.0 109.449 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.02 -42.25 93.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.221 -0.925 . . . . 0.0 109.746 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.0 96.32 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.2 m -59.92 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.08 -1.247 . . . . 0.0 108.968 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -60.79 -40.05 91.19 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.293 -0.879 . . . . 0.0 109.055 179.312 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.339 -0.85 . . . . 0.0 109.875 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 38' ' ' LEU . 85.3 mt -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.885 -1.135 . . . . 0.0 108.226 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.04 -39.98 87.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.284 -0.885 . . . . 0.0 109.18 179.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.05 -43.01 95.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.217 -179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.61 HH22 ' CG ' ' B' ' 82' ' ' ASN . 46.8 mtt-85 -63.25 -39.98 96.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.729 -1.232 . . . . 0.0 108.575 178.587 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.34 -42.9 92.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.506 -0.746 . . . . 0.0 109.531 179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 p -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.971 -1.081 . . . . 0.0 109.809 -179.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.95 98.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.994 -1.066 . . . . 0.0 109.096 179.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.44 -39.97 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.49 -0.756 . . . . 0.0 109.238 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.77 -41.57 97.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.125 -0.984 . . . . 0.0 109.392 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 63.5 m-85 -69.97 -37.88 75.91 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.27 -0.893 . . . . 0.0 109.081 179.14 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.862 -1.149 . . . . 0.0 108.92 179.412 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.58 -40.28 91.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.69 -1.256 . . . . 0.0 108.194 178.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -40.09 79.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.601 -179.793 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.06 81.37 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.964 -1.085 . . . . 0.0 108.414 179.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.06 -39.97 87.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.311 -0.868 . . . . 0.0 109.771 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.6 116.49 10.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.871 -1.143 . . . . 0.0 108.672 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.0 m120 -132.87 -60.35 0.87 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.41 -0.806 . . . . 0.0 110.351 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.732 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -156.43 117.0 3.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 109.815 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.749 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 80.8 m95 -100.19 126.39 46.45 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.237 -0.915 . . . . 0.0 110.481 -179.567 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 63.23 27.97 71.47 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.002 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -78.82 23.77 0.32 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.703 -1.469 . . . . 0.0 110.113 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.61 107.98 1.77 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.751 -1.218 . . . . 0.0 110.884 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.3 12.19 23.27 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.334 -0.854 . . . . 0.0 109.904 178.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -133.83 23.7 3.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.201 -0.937 . . . . 0.0 108.526 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.54 152.81 34.71 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.54 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.205 -0.935 . . . . 0.0 108.548 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.93 43.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.601 -0.687 . . . . 0.0 109.382 179.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -129.32 134.92 48.15 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -89.13 112.65 23.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.756 -1.215 . . . . 0.0 109.586 -178.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 69' ' ' THR . 8.2 t -116.37 121.84 43.1 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.503 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 84.1 t -127.92 82.78 67.75 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.547 -0.72 . . . . 0.0 109.522 -179.054 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -85.74 60.99 5.19 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.755 2.303 . . . . 0.0 111.547 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -69.97 130.06 90.3 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.693 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.52 150.11 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.422 1.415 . . . . 0.0 110.883 179.084 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER -128.9 -42.67 1.39 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.26 -0.9 . . . . 0.0 109.936 -178.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.67 124.05 35.52 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.4 p -83.6 103.07 12.63 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.419 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.8 mt -81.07 134.77 35.72 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.361 0.6 . . . . 0.0 109.739 -178.229 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 78' ' ' THR . 13.8 t -94.98 111.41 54.52 Favored Pre-proline 0 N--CA 1.492 1.647 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.459 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -93.0 -47.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.809 1.673 . . . . 0.0 114.323 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.47 -45.25 2.32 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.316 -0.865 . . . . 0.0 113.215 -177.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.05 -55.26 36.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.299 -1.5 . . . . 0.0 112.185 -176.377 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.71 41.33 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 119.963 -1.711 . . . . 0.0 109.8 -179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.0 -48.06 83.28 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.961 . . . . 0.0 109.455 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.66 -40.69 97.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.156 -0.965 . . . . 0.0 109.67 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 81' ' ' TRP . 72.6 p -68.49 -39.87 81.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.038 -1.038 . . . . 0.0 109.424 179.596 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.521 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 57.9 t-105 -61.4 -40.22 93.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.939 -1.101 . . . . 0.0 109.225 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.95 91.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.76 -1.213 . . . . 0.0 108.897 179.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 -40.12 91.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.021 -1.05 . . . . 0.0 108.987 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 53.6 t90 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 109.359 179.118 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.92 -40.05 96.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.413 -0.804 . . . . 0.0 109.26 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 91' ' ' ARG . 19.7 mmm-85 -60.14 -42.73 95.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.358 -0.839 . . . . 0.0 109.842 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.15 -42.6 95.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.935 -1.103 . . . . 0.0 109.383 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.57 -40.56 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.269 -0.895 . . . . 0.0 109.192 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.91 -46.55 88.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -61.41 -43.25 99.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.975 -1.078 . . . . 0.0 109.946 -179.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.87 -40.99 88.01 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.059 -1.026 . . . . 0.0 109.096 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 101' ' ' THR . 41.5 tt0 -60.11 -47.0 87.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.261 -0.899 . . . . 0.0 109.0 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.0 -42.35 94.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.284 -0.885 . . . . 0.0 109.286 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.88 -40.02 91.22 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.233 -0.917 . . . . 0.0 109.665 -179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.76 -42.97 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 0.0 109.106 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 97' ' ' GLU . 47.3 p -61.16 -43.87 98.2 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.21 -0.931 . . . . 0.0 109.651 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.211 -0.931 . . . . 0.0 109.684 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.455 HD11 ' HE ' ' C' ' 23' ' ' ARG . 96.0 mt -61.65 -42.49 98.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.91 . . . . 0.0 109.426 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.412 HD23 HD11 ' A' ' 18' ' ' LEU . 83.6 mt -60.23 -44.7 94.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.959 -1.088 . . . . 0.0 109.233 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.03 -48.87 79.9 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.182 -0.948 . . . . 0.0 108.855 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.19 -41.97 97.75 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.57 92.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.197 -0.939 . . . . 0.0 109.513 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.98 -49.72 76.57 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.19 -0.944 . . . . 0.0 109.451 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.18 -49.98 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.405 -0.809 . . . . 0.0 109.282 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' C' ' 16' ' ' GLN . 64.0 tt0 -61.45 -40.34 94.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.355 -0.84 . . . . 0.0 109.075 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -59.93 -50.01 75.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.465 -0.772 . . . . 0.0 109.532 -179.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.96 -45.96 90.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 0.0 109.588 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.2 -41.35 92.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.288 -0.882 . . . . 0.0 109.903 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.99 -49.71 76.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.033 -1.042 . . . . 0.0 109.608 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.36 -40.74 96.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 0.0 108.692 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.597 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 70.5 t80 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.471 -0.768 . . . . 0.0 109.064 179.363 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.46 -39.99 89.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 109.32 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -40.28 88.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.582 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.16 -41.87 93.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.045 -1.034 . . . . 0.0 109.607 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.597 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 34.6 mttp -61.27 -40.05 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.092 -1.005 . . . . 0.0 109.888 179.35 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.72 -48.97 79.32 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -117.29 59.34 0.77 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.711 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.967 -1.083 . . . . 0.0 109.521 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.487 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 95.9 mt-30 -71.16 143.85 50.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.732 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -90.6 58.29 3.88 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 0.0 109.365 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.487 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 56.8 mtt-85 -67.74 -40.02 84.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.148 -0.97 . . . . 0.0 109.421 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.454 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.5 t -61.1 -40.79 95.07 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.18 179.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 5' ' ' THR . 63.3 tp -59.97 -43.74 94.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 0.0 108.414 179.582 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.3 -40.0 88.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.549 -0.72 . . . . 0.0 109.515 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.4 94.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.431 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.63 -45.31 85.78 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.013 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.01 -46.5 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.314 -1.109 . . . . 0.0 109.656 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.03 -42.17 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.955 -1.091 . . . . 0.0 109.046 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 109.746 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.94 -41.67 92.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -178.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.403 HE21 ' HG3' ' A' ' 14' ' ' GLN . 97.5 mt-30 -61.12 -41.95 97.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.947 -1.096 . . . . 0.0 109.074 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.94 -43.92 94.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -0.89 . . . . 0.0 109.118 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.31 -42.41 98.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -0.947 . . . . 0.0 109.297 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.69 -41.43 98.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.407 HD11 HD23 ' B' ' 104' ' ' LEU . 58.1 tp -59.95 -43.42 95.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.29 -0.881 . . . . 0.0 109.181 179.305 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.299 -0.876 . . . . 0.0 109.821 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.98 -40.99 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.976 -1.077 . . . . 0.0 109.397 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -43.74 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.211 -0.931 . . . . 0.0 108.766 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.5 -42.06 95.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.48 -0.762 . . . . 0.0 109.191 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.451 ' HE ' HD11 ' C' ' 103' ' ' LEU . 58.8 mtt-85 -60.5 -39.94 89.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.49 -0.756 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.12 -39.92 87.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.17 -0.956 . . . . 0.0 108.653 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.98 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.393 -0.817 . . . . 0.0 109.335 179.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.99 -41.88 97.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.115 -0.991 . . . . 0.0 109.37 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.52 -41.13 96.87 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.0 109.017 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.15 -40.13 88.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.378 -0.826 . . . . 0.0 109.889 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.25 -41.08 92.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.037 -1.039 . . . . 0.0 109.287 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.44 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.4 mt -61.08 -41.66 97.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.16 -0.962 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.7 p -62.81 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.066 -1.021 . . . . 0.0 109.545 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.18 -40.1 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.442 -0.786 . . . . 0.0 109.454 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.97 -42.37 94.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 109.781 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.55 -44.89 96.41 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -59.96 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.013 -1.286 . . . . 0.0 108.975 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.97 -39.99 91.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.934 179.3 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.454 -0.779 . . . . 0.0 109.925 -179.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.869 -1.144 . . . . 0.0 108.132 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.93 -39.99 87.4 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.404 -0.81 . . . . 0.0 109.292 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -60.03 -42.97 95.55 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.928 -1.107 . . . . 0.0 109.216 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.602 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.1 mtt-85 -63.12 -40.07 96.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.746 -1.221 . . . . 0.0 108.523 178.464 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -42.94 92.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.478 -0.764 . . . . 0.0 109.64 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -40.03 88.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.0 -1.062 . . . . 0.0 109.799 -179.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.15 98.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.022 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.12 -40.01 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.48 -0.763 . . . . 0.0 109.234 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.136 -0.978 . . . . 0.0 109.363 -178.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.32 -41.47 98.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.115 -0.991 . . . . 0.0 109.091 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -70.06 -37.68 75.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.105 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.03 -40.31 88.9 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.955 -1.091 . . . . 0.0 109.008 179.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.35 -40.25 90.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.713 -1.242 . . . . 0.0 108.108 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.17 -39.97 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.056 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -39.9 78.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.179 -0.951 . . . . 0.0 108.602 -179.739 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.93 82.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.948 -1.095 . . . . 0.0 108.374 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 109.617 -179.714 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.77 116.53 11.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.893 -1.129 . . . . 0.0 108.735 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 32.9 m120 -133.05 -60.22 0.86 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.399 -0.813 . . . . 0.0 110.464 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.749 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -156.54 116.83 3.62 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -178.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.772 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 81.3 m95 -100.2 126.26 46.46 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.286 -0.883 . . . . 0.0 110.629 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 62.88 28.39 71.79 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.861 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -78.83 23.8 0.32 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.753 -1.439 . . . . 0.0 110.027 -179.535 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.64 108.3 1.79 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.781 -1.199 . . . . 0.0 110.804 179.56 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -110.58 12.06 22.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.245 -0.909 . . . . 0.0 109.71 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -133.72 23.68 3.98 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.108 -0.995 . . . . 0.0 108.473 178.451 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.3 153.1 35.52 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 t -101.95 57.62 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.111 -0.993 . . . . 0.0 108.455 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.12 157.92 43.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.601 -0.687 . . . . 0.0 109.335 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -129.26 134.88 48.16 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.714 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.617 HG23 ' O ' ' B' ' 68' ' ' THR . 8.8 t -88.92 112.63 23.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.715 -1.241 . . . . 0.0 109.502 -178.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 69' ' ' THR . 8.1 t -116.47 121.73 42.7 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.716 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.456 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 84.4 t -127.8 82.89 67.49 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.418 -0.801 . . . . 0.0 109.534 -178.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.88 61.36 5.12 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 122.842 2.361 . . . . 0.0 111.556 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -70.29 130.44 89.41 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.706 -0.621 . . . . 0.0 109.543 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -40.78 150.51 0.13 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.447 1.431 . . . . 0.0 111.047 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -129.38 -42.49 1.33 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.209 -0.932 . . . . 0.0 110.002 -178.906 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.05 123.88 35.73 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 6.8 p -83.56 103.05 12.58 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.4 mt -81.21 134.69 35.66 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.296 0.57 . . . . 0.0 109.685 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.654 ' O ' HG23 ' B' ' 78' ' ' THR . 14.0 t -94.91 111.29 53.95 Favored Pre-proline 0 N--CA 1.493 1.7 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.57 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -92.96 -47.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.667 1.578 . . . . 0.0 114.293 -179.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.52 -45.42 2.31 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.194 -0.941 . . . . 0.0 113.203 -177.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -59.96 -55.13 37.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.326 -1.484 . . . . 0.0 112.199 -176.34 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 9.3 t-20 -79.5 -35.46 40.11 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 119.93 -1.731 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.03 -47.95 83.71 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.144 -0.973 . . . . 0.0 109.486 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.78 -40.66 97.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.051 -1.031 . . . . 0.0 109.671 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.5 p -68.48 -39.96 81.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 109.329 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.517 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 57.7 t-105 -61.5 -40.12 93.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.944 -1.098 . . . . 0.0 109.146 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.01 -41.1 91.42 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.882 -1.136 . . . . 0.0 108.848 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.74 -40.14 91.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.126 -0.984 . . . . 0.0 108.958 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.517 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.1 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.375 -0.828 . . . . 0.0 109.312 179.122 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.39 -40.57 96.9 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.49 -0.757 . . . . 0.0 109.297 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.407 HH11 ' HG3' ' B' ' 91' ' ' ARG . 19.8 mmm-85 -60.07 -42.49 94.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.309 -0.869 . . . . 0.0 109.867 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.24 -42.63 95.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.934 -1.104 . . . . 0.0 109.464 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -40.31 88.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.0 109.172 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.04 -46.55 89.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.858 . . . . 0.0 110.057 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -61.37 -43.17 99.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.897 -1.127 . . . . 0.0 109.976 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.85 -41.1 87.9 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.077 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.42 ' O ' HG23 ' B' ' 101' ' ' THR . 41.1 tt0 -60.11 -46.4 89.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.0 109.086 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.7 -42.15 96.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.312 -0.867 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.01 -39.96 90.7 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.271 -0.893 . . . . 0.0 109.68 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.78 -42.77 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 0.0 109.083 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 97' ' ' GLU . 46.8 p -61.59 -43.63 98.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.736 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.456 HD11 ' HE ' ' A' ' 23' ' ' ARG . 96.1 mt -61.76 -41.9 98.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.407 HD23 HD11 ' B' ' 18' ' ' LEU . 83.3 mt -60.67 -44.65 96.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.011 -1.055 . . . . 0.0 109.14 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -49.11 78.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.163 -0.96 . . . . 0.0 108.82 179.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.17 -41.58 97.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 109.396 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.37 93.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.26 -0.9 . . . . 0.0 109.522 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.98 -49.94 75.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.256 -0.903 . . . . 0.0 109.386 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.04 -50.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.38 -0.825 . . . . 0.0 109.361 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.421 ' OE1' ' OE1' ' A' ' 16' ' ' GLN . 64.1 tt0 -61.29 -40.31 93.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 0.0 109.173 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -59.98 -49.96 75.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.425 -0.797 . . . . 0.0 109.564 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.11 -45.94 91.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -0.88 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.22 -41.63 93.46 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.262 -0.899 . . . . 0.0 109.802 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.011 -1.056 . . . . 0.0 109.67 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.45 -40.58 96.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.169 -0.957 . . . . 0.0 108.821 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . 0.589 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 71.1 t80 -60.02 -49.95 75.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.447 -0.783 . . . . 0.0 108.961 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.223 -0.923 . . . . 0.0 109.231 179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.98 -40.25 88.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.383 -0.823 . . . . 0.0 109.649 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.9 mt-30 -60.24 -41.73 93.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.011 -1.056 . . . . 0.0 109.673 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . 0.589 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 34.8 mttp -61.4 -40.0 92.77 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.223 -0.923 . . . . 0.0 109.913 179.3 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.79 -49.22 78.5 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -117.0 58.79 0.77 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.44 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.007 -1.058 . . . . 0.0 109.42 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.487 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 96.1 mt-30 -70.89 144.21 50.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.341 -0.85 . . . . 0.0 109.749 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p -91.09 58.46 3.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 109.293 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.487 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 56.9 mtt-85 -67.81 -39.95 83.91 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.207 -0.933 . . . . 0.0 109.437 179.65 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.449 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.1 t -61.39 -40.43 94.32 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.131 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.449 ' N ' HG23 ' C' ' 5' ' ' THR . 63.4 tp -60.25 -43.69 95.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.967 . . . . 0.0 108.41 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.26 -40.01 88.79 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.668 -0.645 . . . . 0.0 109.65 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.33 94.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.023 -1.048 . . . . 0.0 108.351 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.84 87.67 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 86.4 mt -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.334 -1.098 . . . . 0.0 109.753 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.09 -42.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -60.42 -39.94 89.24 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.278 -0.889 . . . . 0.0 109.791 179.095 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -41.81 93.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.0 109.8 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.1 -41.77 97.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.915 -1.116 . . . . 0.0 109.13 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -43.78 95.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.218 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 28.6 mt-30 -61.48 -42.35 98.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.914 . . . . 0.0 109.257 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -41.23 97.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -0.867 . . . . 0.0 109.183 179.36 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.422 HD11 HD23 ' C' ' 104' ' ' LEU . 58.0 tp -60.04 -43.48 95.31 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.24 -0.912 . . . . 0.0 109.056 179.424 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.04 -48.8 80.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.263 -0.898 . . . . 0.0 109.749 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.05 -40.76 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.004 -1.06 . . . . 0.0 109.413 -179.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -43.38 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.231 -0.918 . . . . 0.0 108.991 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.35 -41.07 96.45 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.455 ' HE ' HD11 ' A' ' 103' ' ' LEU . 57.8 mtt-85 -61.28 -39.92 92.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.457 -0.777 . . . . 0.0 109.587 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.03 -40.05 87.98 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.523 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 0.0 109.376 179.444 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.83 -42.05 97.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 0.0 109.37 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.48 -41.2 96.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.473 -0.767 . . . . 0.0 108.99 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.05 -40.32 89.03 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.28 -40.28 89.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.935 -1.103 . . . . 0.0 109.336 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -61.69 -41.55 97.74 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -62.85 -39.98 96.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 109.58 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.28 -39.98 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.437 -0.789 . . . . 0.0 109.399 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -60.01 -42.36 94.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.837 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.91 96.31 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.896 -1.355 . . . . 0.0 109.052 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -60.9 -39.87 90.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.013 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -60.09 -40.03 88.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.382 -0.824 . . . . 0.0 109.829 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.96 -39.9 87.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.937 -1.102 . . . . 0.0 108.202 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.348 -0.845 . . . . 0.0 109.128 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 49.7 p -60.11 -43.05 95.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.872 -1.143 . . . . 0.0 109.039 -179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.601 HH22 ' CG ' ' A' ' 82' ' ' ASN . 46.3 mtt-85 -63.2 -40.09 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.441 178.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.41 -42.85 92.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.436 -0.79 . . . . 0.0 109.618 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.979 -1.076 . . . . 0.0 109.837 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.57 -42.03 98.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.009 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.35 -39.85 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.524 -0.735 . . . . 0.0 109.256 179.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -40.73 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.152 -0.967 . . . . 0.0 109.275 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -61.52 -41.69 97.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.097 -1.002 . . . . 0.0 109.293 179.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -69.97 -37.71 75.87 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 109.235 179.181 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.08 -40.32 89.13 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.91 -1.119 . . . . 0.0 108.836 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.28 -40.53 90.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.654 -1.279 . . . . 0.0 108.148 178.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.09 -39.98 87.99 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.539 -0.726 . . . . 0.0 109.066 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -57.81 -39.87 78.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.126 -0.984 . . . . 0.0 108.464 -179.776 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.12 82.66 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.984 -1.073 . . . . 0.0 108.428 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.296 -0.878 . . . . 0.0 109.786 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.64 116.47 10.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.889 -1.132 . . . . 0.0 108.684 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.1 m120 -132.93 -60.2 0.87 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.422 -0.799 . . . . 0.0 110.366 -179.484 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.772 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -156.46 117.0 3.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.283 -0.886 . . . . 0.0 109.946 -179.063 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.732 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 81.3 m95 -100.1 126.43 46.33 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.305 -0.872 . . . . 0.0 110.58 -179.661 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 62.86 28.22 71.46 Favored Glycine 0 N--CA 1.492 2.423 0 C-N-CA 120.22 -0.991 . . . . 0.0 111.012 178.406 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -78.85 23.89 0.32 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.747 -1.443 . . . . 0.0 110.071 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.58 107.78 1.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.709 -1.245 . . . . 0.0 110.892 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.14 12.09 23.56 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.234 -0.916 . . . . 0.0 109.882 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -133.79 23.76 3.95 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.44 152.54 34.44 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -101.35 57.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.166 -0.959 . . . . 0.0 108.624 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.2 158.04 43.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.618 -0.676 . . . . 0.0 109.368 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -129.41 134.99 48.13 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.619 ' O ' HG23 ' C' ' 68' ' ' THR . 9.0 t -89.02 112.5 23.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.784 -1.197 . . . . 0.0 109.577 -178.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.508 ' O ' HG23 ' C' ' 69' ' ' THR . 8.1 t -116.22 121.94 43.55 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 85.4 t -127.92 82.78 67.74 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.446 -0.784 . . . . 0.0 109.549 -179.024 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.72 61.06 5.22 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.849 2.366 . . . . 0.0 111.58 179.425 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -70.09 130.2 89.96 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.675 -0.641 . . . . 0.0 109.668 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -40.7 150.21 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.424 1.416 . . . . 0.0 111.021 179.008 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.5 OUTLIER -129.05 -42.65 1.37 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.214 -0.929 . . . . 0.0 110.011 -178.91 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 123.93 35.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.233 -179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 6.5 p -83.77 102.9 12.63 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.91 134.73 35.78 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.407 0.622 . . . . 0.0 109.694 -178.206 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.669 HG23 ' O ' ' C' ' 78' ' ' THR . 14.1 t -95.1 111.36 54.51 Favored Pre-proline 0 N--CA 1.492 1.636 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -93.02 -47.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.014 0 C-N-CA 121.673 1.582 . . . . 0.0 114.243 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -121.19 -45.59 2.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.299 -0.876 . . . . 0.0 113.273 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.3 p90 -60.02 -55.12 37.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.174 -1.578 . . . . 0.0 112.278 -176.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 9.2 t-20 -79.2 -35.72 41.3 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 119.916 -1.74 . . . . 0.0 109.709 -179.611 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.04 -47.85 84.15 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.126 -0.984 . . . . 0.0 109.357 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.96 -40.58 98.11 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.067 -1.021 . . . . 0.0 109.696 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.452 HG23 ' O ' ' C' ' 81' ' ' TRP . 72.3 p -68.45 -39.92 81.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.95 -1.094 . . . . 0.0 109.377 179.491 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.522 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 58.2 t-105 -61.42 -40.25 93.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 109.086 -179.679 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.96 91.1 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.831 -1.168 . . . . 0.0 108.944 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.78 -40.08 91.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.105 -0.997 . . . . 0.0 108.879 179.475 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.522 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 53.0 t90 -60.04 -49.96 75.62 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.249 -0.907 . . . . 0.0 109.38 179.159 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.67 -40.11 96.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.469 -0.769 . . . . 0.0 109.226 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' C' ' 91' ' ' ARG . 19.4 mmm-85 -60.24 -42.6 95.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.285 -0.885 . . . . 0.0 109.885 -179.816 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.19 -42.72 95.68 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.968 -1.082 . . . . 0.0 109.48 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.42 -40.38 87.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.12 -0.987 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.92 -46.38 89.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.197 -0.939 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -61.85 -43.1 99.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.937 -1.102 . . . . 0.0 109.857 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.82 -41.06 88.11 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.071 -1.018 . . . . 0.0 109.015 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.418 ' O ' HG23 ' C' ' 101' ' ' THR . 41.2 tt0 -60.26 -46.51 89.56 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 0.0 109.029 179.521 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.44 -42.49 96.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.337 -0.852 . . . . 0.0 109.181 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -65.48 -40.42 93.1 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.227 -0.921 . . . . 0.0 109.749 -179.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.71 -42.23 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 109.197 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 97' ' ' GLU . 46.3 p -62.01 -43.54 98.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.153 -0.967 . . . . 0.0 109.568 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.48 77.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.451 HD11 ' HE ' ' B' ' 23' ' ' ARG . 96.1 mt -61.48 -42.38 98.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 109.511 -179.758 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.422 HD23 HD11 ' C' ' 18' ' ' LEU . 83.4 mt -60.41 -44.5 95.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.007 -1.058 . . . . 0.0 109.128 179.343 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -48.95 79.6 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.181 -0.95 . . . . 0.0 108.908 179.666 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.2 -42.09 97.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.295 -0.878 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.5 92.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 0.0 109.535 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.02 -49.84 76.1 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.209 -0.932 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.11 -49.93 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.285 -0.884 . . . . 0.0 109.507 179.536 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.45 -40.19 93.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -60.02 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.477 -179.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.05 -46.12 90.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.221 -0.924 . . . . 0.0 109.537 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -60.23 -41.28 92.76 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 109.735 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -60.99 -49.8 75.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.975 -1.078 . . . . 0.0 109.531 179.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.33 -40.65 96.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -0.95 . . . . 0.0 108.835 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . 0.587 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 70.8 t80 -59.96 -50.06 75.25 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.368 -0.832 . . . . 0.0 109.008 179.186 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.124 -0.985 . . . . 0.0 109.4 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.09 -40.22 88.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.421 -0.799 . . . . 0.0 109.684 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.01 -42.92 95.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . 0.587 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 34.4 mttp -60.0 -40.03 87.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.049 -1.032 . . . . 0.0 110.252 178.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.12 -48.84 80.14 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -117.28 59.13 0.77 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.433 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.712 0 O-C-N 120.977 -1.077 . . . . 0.0 109.426 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.271 0.558 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -71.36 144.73 49.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 0.0 109.317 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -89.17 57.52 4.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.166 -0.958 . . . . 0.0 109.191 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.797 HH12 ' H ' ' A' ' 122' ' ' ASN . 43.9 mtp180 -63.51 -39.77 95.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.38 -0.825 . . . . 0.0 109.634 179.353 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.6 t -59.6 -43.36 93.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.159 -0.963 . . . . 0.0 108.783 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 5' ' ' THR . 63.4 tp -62.49 -40.95 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.052 -1.03 . . . . 0.0 108.504 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.43 -37.58 80.41 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.682 -0.636 . . . . 0.0 109.342 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.97 90.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.88 -48.15 62.49 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -59.64 -50.07 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.578 -0.954 . . . . 0.0 109.415 179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.85 -44.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.119 -0.988 . . . . 0.0 108.691 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -61.15 -40.32 93.42 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.307 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.73 -41.88 91.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.464 -0.772 . . . . 0.0 109.644 -179.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.98 -40.59 93.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 109.539 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -60.09 -46.26 90.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.982 . . . . 0.0 109.999 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.49 -41.28 93.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.564 179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.58 -41.71 98.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.042 -1.036 . . . . 0.0 109.001 179.122 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.9 -45.75 91.52 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.256 -0.902 . . . . 0.0 109.452 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.31 -0.869 . . . . 0.0 109.623 -179.088 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.12 -41.31 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 109.088 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -49.46 83.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.201 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -61.7 -40.29 94.47 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.743 0.783 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.576 ' NH2' HD21 ' B' ' 99' ' ' ASN . 11.4 tpp180 -60.71 -39.44 88.58 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.03 -39.52 86.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.109 -0.995 . . . . 0.0 108.562 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -60.18 -42.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.399 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -67.18 -40.7 86.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.62 -1.3 . . . . 0.0 109.353 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.28 -41.07 92.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.121 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.0 -38.91 84.02 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.51 HH22 ' CD ' ' A' ' 97' ' ' GLU . 49.5 mtt-85 -60.07 -40.89 91.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.93 -1.106 . . . . 0.0 108.846 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 79.8 mt -62.23 -41.63 98.58 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.226 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.9 p -63.51 -39.63 94.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 109.606 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.62 -40.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -59.57 -43.48 93.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.436 -0.79 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -45.12 96.01 Favored Glycine 0 N--CA 1.493 2.438 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.5 m -60.19 -50.09 75.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -1.142 . . . . 0.0 108.803 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.11 -40.13 92.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 178.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.582 HD21 HD21 ' B' ' 82' ' ' ASN . 44.2 t-20 -59.56 -40.32 86.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.481 -0.762 . . . . 0.0 109.101 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.51 -39.42 87.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.711 -1.243 . . . . 0.0 108.758 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.36 -39.47 87.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.138 -0.976 . . . . 0.0 109.089 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.5 p -60.34 -43.46 96.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.025 -1.047 . . . . 0.0 108.939 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.601 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 55.3 mtt-85 -62.24 -39.99 94.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.743 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.12 -45.08 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.592 -0.693 . . . . 0.0 109.956 -179.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -60.13 -39.8 87.55 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.61 -179.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.53 99.73 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.97 -1.081 . . . . 0.0 108.449 178.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.31 -39.63 81.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.53 -40.33 91.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.527 -178.226 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.03 -39.99 95.32 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.596 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 62.1 m-85 -69.78 -38.43 76.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.333 -0.854 . . . . 0.0 109.436 179.492 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.449 HD22 HE22 ' C' ' 52' ' ' GLN . 55.3 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 179.648 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.836 -1.165 . . . . 0.0 108.918 179.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.22 -39.83 91.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.637 -0.664 . . . . 0.0 109.992 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.65 ' NE2' HD21 ' B' ' 74' ' ' ASN . 26.0 mt-30 -60.28 -39.82 88.25 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.93 -1.106 . . . . 0.0 109.801 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.77 78.66 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.1 -38.19 82.23 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.502 -0.749 . . . . 0.0 109.053 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.46 115.74 7.42 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 26.6 m120 -133.14 -60.22 0.86 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.51 -0.744 . . . . 0.0 111.001 -179.028 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.687 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.12 116.98 4.11 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.943 -1.098 . . . . 0.0 110.812 -178.553 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.692 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 86.1 m95 -100.33 120.16 39.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.297 -0.877 . . . . 0.0 110.491 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 67.01 28.77 73.92 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.067 -1.063 . . . . 0.0 110.983 178.671 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.484 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.92 22.68 0.18 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.731 -1.452 . . . . 0.0 109.655 -179.2 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.58 113.15 2.0 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.021 -1.05 . . . . 0.0 110.29 179.041 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -109.01 12.29 25.34 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 178.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 55.3 mtp180 -131.23 23.27 4.84 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.092 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.513 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.82 151.87 34.23 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.797 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 t -103.16 59.0 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.177 -0.952 . . . . 0.0 108.742 179.277 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.77 158.1 43.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -128.66 132.46 48.08 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 68' ' ' THR . 7.6 t -89.99 113.05 24.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.723 -1.236 . . . . 0.0 109.437 -178.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.26 119.68 39.73 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 66.7 t -122.32 85.53 47.45 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 121.7 -0.625 . . . . 0.0 109.591 -179.138 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -86.65 63.35 4.64 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.899 2.399 . . . . 0.0 111.645 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 28.0 t90 -69.87 132.35 88.77 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.501 -0.749 . . . . 0.0 109.502 -179.4 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.6 Cg_exo -38.47 149.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.634 1.556 . . . . 0.0 111.087 179.463 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.644 HD21 ' NE2' ' C' ' 52' ' ' GLN . 18.2 t-20 -130.46 -46.65 1.08 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.151 -0.968 . . . . 0.0 109.826 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.5 123.27 35.68 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 108.777 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.4 p -83.14 106.07 14.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.2 mt -82.79 134.38 35.12 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.42 0.629 . . . . 0.0 109.409 -178.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 78' ' ' THR . 15.2 t -92.33 112.41 55.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.606 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -92.64 -48.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.432 1.421 . . . . 0.0 114.532 -178.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.4 -45.35 2.33 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.171 -0.955 . . . . 0.0 113.062 -177.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.666 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.55 32.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.253 -1.529 . . . . 0.0 112.738 -176.149 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.666 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -76.38 -39.74 52.93 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 119.976 -1.702 . . . . 0.0 109.749 -179.275 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.12 -45.18 93.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.57 -42.08 95.91 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.001 . . . . 0.0 108.498 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 p -68.7 -39.94 80.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.197 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -61.52 -39.81 92.38 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.184 -0.948 . . . . 0.0 108.796 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.79 92.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.013 -1.054 . . . . 0.0 108.668 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -41.83 97.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.917 -1.115 . . . . 0.0 108.561 178.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.9 t90 -60.07 -49.45 77.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.921 . . . . 0.0 109.675 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.58 -40.52 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.086 -1.009 . . . . 0.0 109.835 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.89 -40.69 87.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -60.39 -41.07 93.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.806 -1.184 . . . . 0.0 108.677 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.9 -40.46 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.177 -0.952 . . . . 0.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -61.53 -40.84 96.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.597 -0.69 . . . . 0.0 110.71 -179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.75 -39.97 84.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.713 -1.242 . . . . 0.0 109.001 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.32 -40.26 93.49 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.51 ' CD ' HH22 ' A' ' 29' ' ' ARG . 40.9 tt0 -60.26 -48.77 80.32 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -0.95 . . . . 0.0 109.275 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.0 93.35 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.174 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.604 HD21 ' NH2' ' C' ' 23' ' ' ARG . 39.9 t-20 -64.65 -44.92 88.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.1 -41.87 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.139 -0.975 . . . . 0.0 109.34 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 97' ' ' GLU . 41.6 p -60.81 -41.0 94.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 179.57 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.34 77.92 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.15 -0.969 . . . . 0.0 108.866 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD11 HH21 ' C' ' 23' ' ' ARG . 87.3 mt -60.32 -43.1 96.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.443 -0.786 . . . . 0.0 109.601 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.85 -41.27 95.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.215 -0.928 . . . . 0.0 108.785 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.07 -44.56 97.19 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.283 -0.886 . . . . 0.0 109.127 179.576 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' A' ' 110' ' ' GLN . 99.4 mt-10 -64.66 -40.07 94.78 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.151 -0.968 . . . . 0.0 109.394 -179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.39 96.23 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.494 -0.754 . . . . 0.0 109.79 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.83 -45.73 91.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.57 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.88 -49.19 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLU . 1.8 mp0 -67.0 -40.26 87.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.87 -1.144 . . . . 0.0 109.799 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.03 -49.05 79.18 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.341 -0.849 . . . . 0.0 109.376 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.86 -41.78 97.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 0.0 109.293 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -61.68 -40.51 95.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.06 -1.025 . . . . 0.0 109.576 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.43 -44.87 95.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.053 -1.029 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -68.94 -39.91 79.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.175 -0.953 . . . . 0.0 108.617 179.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.18 -45.6 92.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.258 179.369 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.34 -39.51 87.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.356 -0.84 . . . . 0.0 109.621 179.299 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.446 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 42.2 tp -59.42 -40.35 86.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 108.826 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.02 -39.83 94.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.969 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.84 -34.27 72.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.113 . . . . 0.0 109.816 -179.216 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 63.8 mt -54.4 -48.57 71.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.737 -1.227 . . . . 0.0 108.872 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.797 ' H ' HH12 ' A' ' 4' ' ' ARG . 6.9 t-20 -129.25 63.01 1.51 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.103 -0.998 . . . . 0.0 109.175 179.322 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.41 179.835 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 121.395 0.616 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.63 144.78 49.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.022 -1.049 . . . . 0.0 109.23 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -89.03 57.42 4.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.872 . . . . 0.0 109.105 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.784 HH12 ' H ' ' B' ' 122' ' ' ASN . 44.4 mtp180 -63.53 -39.65 94.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.486 -0.759 . . . . 0.0 109.683 179.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.535 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.8 t -59.89 -43.34 94.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.189 -0.944 . . . . 0.0 108.588 -179.545 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.535 ' N ' HG23 ' B' ' 5' ' ' THR . 63.9 tp -62.68 -40.73 98.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 108.494 178.686 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.41 -37.73 80.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.033 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.79 89.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -47.75 62.82 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 178.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.49 -49.6 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.531 -0.982 . . . . 0.0 109.35 179.355 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.4 -43.96 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.081 -1.012 . . . . 0.0 108.59 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.72 -40.92 94.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 108.881 178.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -59.61 -41.6 90.73 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.629 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.38 -40.21 93.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.113 -0.992 . . . . 0.0 109.789 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -60.35 -46.1 91.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 109.915 -179.46 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.77 -41.71 96.03 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.03 -1.043 . . . . 0.0 109.689 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.09 -41.26 99.37 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.158 -0.964 . . . . 0.0 109.08 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.64 -44.92 95.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.328 -0.857 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.49 -47.4 86.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.204 -0.935 . . . . 0.0 109.731 -179.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.28 -41.42 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.316 -0.953 . . . . 0.0 109.134 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.69 -49.59 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.368 -0.832 . . . . 0.0 108.901 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.6 -40.11 93.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.458 -0.776 . . . . 0.0 108.991 179.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.584 ' NH2' HD21 ' C' ' 99' ' ' ASN . 11.3 tpp180 -60.83 -39.11 87.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 109.037 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.22 -39.32 86.22 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -59.77 -42.5 93.43 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 109.593 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.77 -40.12 84.07 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.773 -1.204 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.49 -40.61 91.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.294 -0.878 . . . . 0.0 109.003 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.55 -39.03 86.45 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.697 -0.627 . . . . 0.0 109.472 179.221 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.516 HH22 ' CD ' ' B' ' 97' ' ' GLU . 51.3 mtt-85 -60.14 -40.57 90.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.154 -0.966 . . . . 0.0 108.923 -179.187 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.7 mt -62.5 -41.25 98.69 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.051 -1.031 . . . . 0.0 109.236 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 54.5 p -63.76 -40.41 96.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.163 -0.961 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.7 -40.18 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 108.914 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.08 -42.91 95.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.523 -0.736 . . . . 0.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.13 96.42 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 119.381 -1.39 . . . . 0.0 109.778 -179.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.892 -1.358 . . . . 0.0 109.111 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -40.56 94.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.615 178.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.621 HD21 HD21 ' C' ' 82' ' ' ASN . 43.3 t-20 -58.91 -40.67 85.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.152 -0.967 . . . . 0.0 109.262 -179.686 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -40.38 86.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.759 -1.213 . . . . 0.0 108.64 179.351 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.89 -40.35 88.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.237 -0.914 . . . . 0.0 108.977 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -59.67 -44.06 93.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.824 -1.172 . . . . 0.0 109.1 -179.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.585 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 55.3 mtt-85 -61.68 -40.33 94.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.906 -1.121 . . . . 0.0 108.585 178.474 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.98 -44.64 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.594 -0.691 . . . . 0.0 110.037 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -60.17 -40.36 89.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.707 -1.245 . . . . 0.0 109.546 -179.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.84 99.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.016 -1.052 . . . . 0.0 108.544 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.11 -39.93 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.79 -40.56 88.74 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.829 -178.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.13 -40.18 95.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.373 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.3 m-85 -69.76 -38.42 76.75 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.141 -0.974 . . . . 0.0 109.481 179.312 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.436 HD22 HE22 ' A' ' 52' ' ' GLN . 57.6 mt -59.78 -41.21 90.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.0 109.476 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.76 -40.29 91.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.94 -1.1 . . . . 0.0 108.685 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.15 -40.44 89.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.705 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.649 ' NE2' HD21 ' C' ' 74' ' ' ASN . 27.1 mt-30 -60.37 -39.65 87.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.743 -1.223 . . . . 0.0 109.553 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -58.81 -38.53 78.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.142 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.24 -38.59 83.92 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.029 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.32 116.46 8.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.12 -0.987 . . . . 0.0 108.347 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 28.6 m120 -133.43 -60.45 0.84 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.436 -0.79 . . . . 0.0 111.114 -179.017 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.692 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.98 117.3 4.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.031 -1.043 . . . . 0.0 110.662 -178.557 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.711 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 85.5 m95 -100.46 120.49 40.07 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.467 -0.771 . . . . 0.0 110.294 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 65.94 29.16 74.45 Favored Glycine 0 N--CA 1.493 2.491 0 C-N-CA 120.322 -0.942 . . . . 0.0 110.948 178.542 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.485 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -76.88 23.04 0.18 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.771 -1.429 . . . . 0.0 109.52 -179.463 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.19 113.44 2.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.939 -1.101 . . . . 0.0 110.21 178.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -109.6 12.49 24.28 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.304 -0.873 . . . . 0.0 109.665 178.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.49 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 55.3 mtp180 -131.76 23.43 4.65 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.108 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.01 152.22 34.55 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.473 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 t -103.78 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.167 -0.958 . . . . 0.0 108.691 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.16 158.01 43.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.451 -0.781 . . . . 0.0 110.035 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -128.83 132.86 47.84 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.57 HG23 ' O ' ' B' ' 68' ' ' THR . 9.5 t -90.16 112.67 24.24 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.712 -1.243 . . . . 0.0 109.685 -178.703 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.92 118.66 36.71 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.506 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 66.8 t -120.93 85.79 40.78 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.509 -0.744 . . . . 0.0 109.424 -179.331 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.7 62.61 4.53 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.996 2.464 . . . . 0.0 111.649 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' B' ' 73' ' ' PRO . 29.6 t90 -69.85 132.78 88.57 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.459 -0.775 . . . . 0.0 109.399 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' B' ' 72' ' ' TRP . 90.2 Cg_exo -38.99 149.75 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 121.708 1.606 . . . . 0.0 110.969 179.38 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.65 HD21 ' NE2' ' A' ' 52' ' ' GLN . 18.5 t-20 -130.47 -45.32 1.09 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.331 -0.855 . . . . 0.0 109.84 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.58 123.56 36.98 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 108.834 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -83.34 106.06 14.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.73 134.33 35.14 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.479 0.657 . . . . 0.0 109.334 -178.075 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.643 ' O ' HG23 ' B' ' 78' ' ' THR . 15.3 t -92.25 112.31 54.55 Favored Pre-proline 0 N--CA 1.491 1.621 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -92.74 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.462 1.442 . . . . 0.0 114.631 -178.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -121.72 -45.28 2.29 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.321 -0.862 . . . . 0.0 112.967 -177.122 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -60.31 -55.86 28.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.512 -1.368 . . . . 0.0 112.591 -176.183 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -76.09 -40.01 54.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.943 -1.723 . . . . 0.0 109.766 -179.194 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.96 -45.45 92.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.206 -0.934 . . . . 0.0 109.688 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.07 -42.62 94.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.883 -1.136 . . . . 0.0 108.584 179.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 61.2 p -68.47 -39.97 81.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.07 179.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -61.18 -40.29 93.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.012 -1.055 . . . . 0.0 108.835 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.14 -42.11 89.9 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.316 -0.954 . . . . 0.0 108.792 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -41.77 97.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.981 -1.075 . . . . 0.0 108.735 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.479 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.6 t90 -60.12 -49.77 76.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.685 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.05 -41.78 97.26 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.305 -0.872 . . . . 0.0 109.472 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -66.38 -40.35 89.64 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.368 -0.833 . . . . 0.0 110.154 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -60.0 -42.74 94.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.932 -1.105 . . . . 0.0 108.532 179.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.51 -40.98 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.281 -0.887 . . . . 0.0 109.027 178.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -61.11 -40.77 95.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.256 -0.903 . . . . 0.0 110.927 -179.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -67.82 -40.25 83.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.636 -1.29 . . . . 0.0 108.928 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.68 -40.87 96.15 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.746 . . . . 0.0 109.377 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.516 ' CD ' HH22 ' B' ' 29' ' ' ARG . 40.3 tt0 -60.05 -49.0 79.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.854 . . . . 0.0 109.187 179.621 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.07 -40.39 93.47 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.211 -0.931 . . . . 0.0 109.192 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.576 HD21 ' NH2' ' A' ' 23' ' ' ARG . 39.3 t-20 -64.51 -44.97 89.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.17 -42.11 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.084 -1.01 . . . . 0.0 109.397 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 97' ' ' GLU . 44.8 p -60.75 -40.89 94.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.19 78.5 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.125 -0.984 . . . . 0.0 109.175 179.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.55 -44.11 96.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 0.0 109.566 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.59 -41.82 98.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.153 -0.967 . . . . 0.0 108.957 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -60.9 -43.76 98.05 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.296 -0.878 . . . . 0.0 109.325 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 110' ' ' GLN . 98.1 mt-10 -64.72 -40.63 95.67 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.042 -1.036 . . . . 0.0 109.032 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.61 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.434 -0.791 . . . . 0.0 109.876 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.999 -1.063 . . . . 0.0 109.365 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.99 -49.63 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.769 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 106' ' ' GLU . 1.8 mp0 -67.5 -39.94 85.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.135 -0.978 . . . . 0.0 109.691 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.23 -48.93 79.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.009 -1.057 . . . . 0.0 109.487 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.59 -41.81 98.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.39 -0.819 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -61.01 -40.78 94.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.095 -1.003 . . . . 0.0 109.394 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.58 -44.54 96.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.992 -1.068 . . . . 0.0 109.252 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.4 ttt -69.27 -39.97 78.07 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.577 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.6 -45.02 95.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.887 . . . . 0.0 109.26 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.34 -39.6 87.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.321 -0.862 . . . . 0.0 109.58 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.451 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 42.9 tp -59.73 -39.98 86.5 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.117 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.19 -39.87 94.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.268 -0.895 . . . . 0.0 109.923 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -59.74 -34.69 73.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.091 -1.006 . . . . 0.0 109.796 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 65.6 mt -54.2 -48.45 70.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.762 -1.211 . . . . 0.0 109.088 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . 0.784 ' H ' HH12 ' B' ' 4' ' ' ARG . 7.3 t-20 -129.3 63.11 1.51 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.216 -0.927 . . . . 0.0 108.97 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.361 179.986 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.01 145.02 50.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.23 -0.919 . . . . 0.0 108.984 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -88.96 57.69 4.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.874 -1.141 . . . . 0.0 109.349 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.812 HH12 ' H ' ' C' ' 122' ' ' ASN . 42.7 mtp180 -64.05 -39.44 94.1 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 110.123 179.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.54 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.5 -43.43 93.34 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.203 -0.936 . . . . 0.0 108.66 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.54 ' N ' HG23 ' C' ' 5' ' ' THR . 63.9 tp -62.39 -41.04 98.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.949 -1.095 . . . . 0.0 108.399 178.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.05 -37.63 81.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.367 -0.833 . . . . 0.0 109.229 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.23 89.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.64 -47.65 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.93 -50.06 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.524 -0.986 . . . . 0.0 109.394 179.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.17 -44.29 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.003 -1.061 . . . . 0.0 108.64 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.95 -40.29 92.75 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -59.23 -42.35 90.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 110.045 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.08 -40.48 93.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 109.727 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.02 -46.65 88.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.13 -42.29 94.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.536 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.38 -41.63 98.78 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.924 -1.11 . . . . 0.0 109.101 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.58 -45.22 94.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.352 -0.842 . . . . 0.0 109.268 -179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.62 -47.73 84.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 -179.558 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -60.27 -41.05 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.354 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.3 -49.62 83.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.465 -0.772 . . . . 0.0 109.028 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.58 -40.41 94.65 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.815 -0.754 . . . . 0.0 108.997 179.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.604 ' NH2' HD21 ' A' ' 99' ' ' ASN . 11.5 tpp180 -59.5 -40.29 86.57 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.451 -0.78 . . . . 0.0 109.193 179.494 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.78 -39.39 84.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 108.938 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.09 -42.29 94.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.219 -0.925 . . . . 0.0 109.688 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.82 -40.31 83.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.754 -1.217 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 36.7 tp -59.92 -41.25 91.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.453 -0.78 . . . . 0.0 109.21 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.29 -38.62 84.17 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.611 -0.681 . . . . 0.0 109.345 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' C' ' 97' ' ' GLU . 50.2 mtt-85 -60.16 -40.49 90.09 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.117 -0.99 . . . . 0.0 108.884 -179.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 81.2 mt -62.5 -40.99 98.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.038 -1.039 . . . . 0.0 109.399 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 50.1 p -63.93 -40.29 96.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.178 -0.951 . . . . 0.0 109.455 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.82 -40.38 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -59.95 -43.56 94.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.19 95.44 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.924 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.3 -49.88 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.806 -1.408 . . . . 0.0 109.103 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.55 -40.15 93.65 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.45 -0.781 . . . . 0.0 109.458 179.023 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.647 HD21 HD21 ' A' ' 82' ' ' ASN . 41.5 t-20 -59.07 -40.89 86.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.471 -0.768 . . . . 0.0 109.118 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -59.67 -40.03 86.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.841 -1.162 . . . . 0.0 108.71 179.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.23 -40.28 89.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.951 . . . . 0.0 108.834 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 57.0 p -59.72 -43.72 94.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.953 -1.092 . . . . 0.0 109.063 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.63 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 54.1 mtt-85 -62.35 -39.36 92.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.995 -1.065 . . . . 0.0 108.81 178.437 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.94 -44.54 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.607 -0.683 . . . . 0.0 109.739 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -60.01 -40.89 90.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.773 -1.204 . . . . 0.0 109.457 -179.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.63 99.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.976 -1.077 . . . . 0.0 108.78 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.33 -39.54 81.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.89 -40.67 89.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 0.0 109.603 -178.517 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.98 -40.33 96.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.791 -1.193 . . . . 0.0 109.718 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.3 m-85 -69.81 -38.03 76.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.0 109.385 179.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.448 HD22 HE22 ' B' ' 52' ' ' GLN . 56.0 mt -60.11 -41.09 91.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.617 179.54 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.46 -40.34 90.84 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.042 -1.036 . . . . 0.0 108.678 179.209 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.49 -40.31 90.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.335 -0.853 . . . . 0.0 110.441 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.644 ' NE2' HD21 ' A' ' 74' ' ' ASN . 26.8 mt-30 -60.21 -39.98 88.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.604 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.06 78.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.096 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.3 -38.26 83.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.69 116.5 8.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.015 -1.053 . . . . 0.0 108.398 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 28.5 m120 -133.34 -59.92 0.86 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.365 -0.834 . . . . 0.0 110.97 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.711 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.33 117.11 4.07 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.034 -1.041 . . . . 0.0 110.814 -178.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.687 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 86.0 m95 -100.22 120.05 39.3 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.176 -0.952 . . . . 0.0 110.263 179.779 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 66.4 29.84 75.54 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 119.979 -1.105 . . . . 0.0 110.811 178.431 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -77.4 22.61 0.23 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.687 -1.478 . . . . 0.0 109.418 -179.631 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.02 113.36 2.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.831 -1.168 . . . . 0.0 110.196 179.132 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -109.59 12.2 24.43 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.319 -0.863 . . . . 0.0 109.536 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.482 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 53.4 mtp180 -131.26 23.39 4.83 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.03 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.525 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.92 152.21 34.65 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.604 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -103.67 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.06 -1.025 . . . . 0.0 108.849 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.27 158.24 43.6 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.267 -0.896 . . . . 0.0 110.021 179.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -128.71 132.8 48.02 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.558 ' O ' HG23 ' C' ' 68' ' ' THR . 7.7 t -90.55 112.55 24.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.602 -1.311 . . . . 0.0 109.704 -178.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.05 119.65 39.74 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 63.9 t -121.97 85.21 45.41 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.594 -0.691 . . . . 0.0 109.382 -178.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -86.17 63.15 5.09 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.86 2.373 . . . . 0.0 111.84 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.403 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 28.5 t90 -70.05 132.93 88.09 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.464 -0.772 . . . . 0.0 109.491 -179.351 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.403 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.8 Cg_exo -38.9 149.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.245 0 C-N-CA 121.725 1.617 . . . . 0.0 110.79 179.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.649 HD21 ' NE2' ' B' ' 52' ' ' GLN . 18.5 t-20 -130.66 -44.95 1.08 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.182 -0.949 . . . . 0.0 109.874 -179.193 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.2 123.23 37.46 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.062 -1.023 . . . . 0.0 108.855 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.4 p -82.77 105.44 13.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.541 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.38 134.43 35.25 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.476 0.655 . . . . 0.0 109.413 -178.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.645 HG23 ' O ' ' C' ' 78' ' ' THR . 15.1 t -92.32 112.68 56.41 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -92.84 -48.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.115 0 C-N-CA 121.627 1.551 . . . . 0.0 114.889 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.55 -45.44 2.31 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.146 -0.971 . . . . 0.0 112.985 -177.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.679 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -60.14 -55.63 31.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.308 -1.495 . . . . 0.0 112.685 -176.059 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.679 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -76.13 -39.88 54.04 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 119.966 -1.709 . . . . 0.0 109.837 -179.206 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -60.52 -45.1 95.08 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.457 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.4 -42.78 96.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 108.339 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 56.3 p -67.84 -40.26 83.74 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.376 -0.828 . . . . 0.0 109.296 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.406 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.8 t-105 -61.19 -40.21 93.06 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.207 -0.933 . . . . 0.0 108.957 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.58 -42.41 92.42 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.944 -1.097 . . . . 0.0 108.644 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.29 -42.24 95.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.968 -1.082 . . . . 0.0 108.496 178.1 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.6 t90 -60.32 -48.92 79.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.06 -1.025 . . . . 0.0 109.648 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.71 -40.79 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.293 -0.879 . . . . 0.0 109.645 179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -67.28 -39.67 86.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -60.72 -41.98 96.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.017 -1.073 . . . . 0.0 108.505 178.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.19 -40.62 89.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.367 -0.833 . . . . 0.0 108.993 178.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -61.11 -40.69 94.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.292 -0.88 . . . . 0.0 110.984 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.35 -40.11 81.65 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.738 -1.226 . . . . 0.0 108.845 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.4 -40.52 95.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.382 -0.824 . . . . 0.0 109.578 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.506 ' OE1' ' NH1' ' C' ' 29' ' ' ARG . 40.0 tt0 -60.15 -49.44 77.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.026 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.74 -40.47 92.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.25 -0.906 . . . . 0.0 109.179 179.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.584 HD21 ' NH2' ' B' ' 23' ' ' ARG . 39.8 t-20 -64.74 -44.21 90.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 110.084 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.15 -41.53 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.129 -0.982 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.438 HG23 ' O ' ' C' ' 97' ' ' GLU . 44.9 p -60.98 -40.62 94.14 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.189 -0.945 . . . . 0.0 108.952 179.422 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.1 78.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.921 . . . . 0.0 109.017 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.462 HD11 HH21 ' B' ' 23' ' ' ARG . 89.0 mt -60.24 -44.01 95.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.545 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.09 -41.6 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.851 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.328 -0.857 . . . . 0.0 109.095 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . 0.434 ' O ' ' OE1' ' C' ' 110' ' ' GLN . 98.7 mt-10 -64.77 -40.43 95.25 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.271 -0.893 . . . . 0.0 109.12 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.24 95.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.232 -0.918 . . . . 0.0 109.996 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.06 -46.54 89.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.0 109.373 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.55 -49.79 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.341 -0.849 . . . . 0.0 109.772 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' C' ' 106' ' ' GLU . 2.0 mp0 -66.81 -40.24 87.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.093 -1.004 . . . . 0.0 109.792 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -59.93 -48.51 81.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.314 -0.866 . . . . 0.0 109.474 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.45 -41.35 96.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.296 -0.878 . . . . 0.0 109.34 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -62.24 -39.89 94.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.873 . . . . 0.0 109.543 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.998 -1.064 . . . . 0.0 109.416 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -68.43 -40.3 81.24 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.084 -1.01 . . . . 0.0 108.628 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -60.18 -45.6 92.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.491 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.15 -39.29 85.85 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.809 0.814 . . . . 0.0 109.665 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . 0.437 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 43.1 tp -59.56 -40.38 87.1 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.044 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.26 -39.61 94.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.978 . . . . 0.0 110.044 179.329 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -60.26 -33.13 71.88 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.916 -1.115 . . . . 0.0 109.83 -179.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 65.9 mt -55.23 -48.36 74.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.729 -1.232 . . . . 0.0 108.887 179.536 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . 0.812 ' H ' HH12 ' C' ' 4' ' ' ARG . 6.8 t-20 -129.44 62.88 1.52 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.086 -1.009 . . . . 0.0 109.18 179.119 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.332 -179.997 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.471 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 88.5 mt-30 -69.16 142.66 54.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.363 -179.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -91.15 59.1 3.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.26 -0.9 . . . . 0.0 109.384 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 55.6 mtt-85 -65.38 -39.66 92.54 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.397 -0.815 . . . . 0.0 109.119 179.071 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 7.5 t -59.91 -42.02 92.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.312 -0.867 . . . . 0.0 109.327 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 64.7 tp -62.24 -41.46 98.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 108.736 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.3 -39.37 86.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.332 -0.855 . . . . 0.0 109.679 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.69 89.18 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.048 -1.033 . . . . 0.0 108.832 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.52 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.46 -48.79 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.453 -1.028 . . . . 0.0 109.584 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.05 -47.04 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.152 -0.968 . . . . 0.0 109.406 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.15 -39.58 86.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.185 -0.947 . . . . 0.0 109.31 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -60.04 -41.57 92.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.421 -0.8 . . . . 0.0 109.465 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.002 -1.061 . . . . 0.0 109.366 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.37 -45.43 93.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.105 -0.997 . . . . 0.0 109.032 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.29 -43.73 96.01 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -0.987 . . . . 0.0 109.781 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.84 -42.59 99.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 179.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.74 -41.47 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.845 . . . . 0.0 108.919 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 19' ' ' ASP . 50.9 t0 -60.21 -48.78 80.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.792 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.34 -40.12 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.0 109.596 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -41.81 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 108.571 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.5 -40.15 95.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.586 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.2 mmt180 -61.11 -40.74 94.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.6 -39.99 90.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.206 -0.934 . . . . 0.0 109.557 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.92 -49.65 76.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.122 -0.986 . . . . 0.0 109.651 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.85 -40.7 98.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.083 . . . . 0.0 109.227 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.56 -40.6 97.35 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.354 -0.842 . . . . 0.0 108.875 179.211 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.86 -39.97 91.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.431 -0.793 . . . . 0.0 109.59 179.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.24 -40.22 89.47 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.988 -1.07 . . . . 0.0 109.267 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.7 mt -61.59 -40.04 93.33 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.377 -0.827 . . . . 0.0 109.56 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -63.32 -40.03 96.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.066 -1.021 . . . . 0.0 109.709 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.66 -40.99 86.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.415 -0.803 . . . . 0.0 109.18 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.03 -41.28 91.89 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 110.04 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -49.94 73.05 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -60.02 -49.0 79.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.071 -1.252 . . . . 0.0 109.867 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.18 -39.87 88.02 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -0.87 . . . . 0.0 109.909 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.664 HD21 ' NH2' ' A' ' 41' ' ' ARG . 56.1 t-20 -60.03 -39.91 87.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 0.0 109.267 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.38 -39.96 89.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 0.0 109.508 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.11 -39.94 87.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.066 -1.021 . . . . 0.0 109.303 -179.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.7 p -60.1 -40.71 90.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.693 -1.255 . . . . 0.0 108.435 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.664 ' NH2' HD21 ' A' ' 37' ' ' ASN . 26.1 mtt-85 -63.7 -40.29 96.42 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.8 -41.08 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.648 -0.658 . . . . 0.0 109.415 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.1 p -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.909 -1.119 . . . . 0.0 109.618 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.02 78.36 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.809 -1.182 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.03 -40.02 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.294 -0.878 . . . . 0.0 111.241 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.06 -38.56 88.62 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.373 -1.454 . . . . 0.0 108.865 179.646 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.76 -49.06 79.21 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.362 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.569 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 36.9 m-85 -61.12 -40.04 92.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.006 -1.059 . . . . 0.0 109.727 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -39.89 87.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.117 -0.989 . . . . 0.0 109.659 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.92 -39.11 84.34 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.773 -1.205 . . . . 0.0 108.002 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.72 -39.58 85.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.501 -0.749 . . . . 0.0 109.406 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' NE2' ' OD1' ' B' ' 74' ' ' ASN . 2.8 mp0 -59.83 -39.79 86.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.782 -1.199 . . . . 0.0 108.995 179.195 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.87 76.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.873 -1.142 . . . . 0.0 108.016 179.275 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.08 -39.92 87.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 108.914 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -70.2 115.74 9.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.03 -1.044 . . . . 0.0 108.945 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.728 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.7 m-80 -133.61 -65.55 0.67 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.328 -0.858 . . . . 0.0 110.253 -179.633 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.648 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.51 118.57 5.1 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.191 -0.943 . . . . 0.0 109.81 -179.32 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.701 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.3 m95 -99.53 123.19 43.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.254 -0.904 . . . . 0.0 110.693 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 62.38 30.97 77.78 Favored Glycine 0 N--CA 1.492 2.409 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.397 178.058 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.94 22.6 0.14 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.516 -1.579 . . . . 0.0 109.387 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.21 116.86 2.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.117 -0.989 . . . . 0.0 109.302 179.402 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.468 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -116.87 11.78 14.53 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 121.223 -0.923 . . . . 0.0 110.973 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.609 ' NH1' ' NH1' ' B' ' 63' ' ' ARG . 61.8 mtp180 -138.14 24.88 2.75 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.404 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' NE2' ' CD1' ' C' ' 62' ' ' PHE . 39.1 mt-30 -141.55 152.17 43.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.205 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.77 56.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.202 -0.937 . . . . 0.0 108.681 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.42 157.19 42.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.448 -0.782 . . . . 0.0 109.541 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -130.05 135.01 47.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.486 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 68' ' ' THR . 6.7 t -89.91 113.87 25.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.657 -1.277 . . . . 0.0 109.952 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 69' ' ' THR . 10.5 t -114.02 122.8 48.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.728 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 74.3 t -130.02 83.96 61.94 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.452 -0.78 . . . . 0.0 109.57 -179.051 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.31 62.46 5.8 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.782 2.321 . . . . 0.0 111.812 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' PRO . 20.9 t90 -69.72 132.03 89.23 Favored Pre-proline 0 N--CA 1.487 1.41 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.4 Cg_exo -39.2 147.13 0.15 Allowed 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.506 1.471 . . . . 0.0 111.213 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.578 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 58.4 t-20 -132.57 2.51 3.79 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.871 0.843 . . . . 0.0 109.023 -179.259 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.43 8.34 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.326 -0.859 . . . . 0.0 108.835 -179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -81.54 108.05 14.8 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.95 134.56 35.73 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.409 0.623 . . . . 0.0 109.35 -178.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 78' ' ' THR . 9.6 t -90.85 114.19 60.57 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.45 -46.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.844 1.696 . . . . 0.0 113.815 -179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 82.9 tttt -121.51 -45.47 2.31 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 121.265 -0.897 . . . . 0.0 113.354 -176.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.0 p90 -61.45 -45.25 95.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.389 -1.444 . . . . 0.0 113.751 -175.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.7 t30 -77.6 -49.18 15.12 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.697 -1.877 . . . . 0.0 111.174 -178.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.7 p-10 -60.06 -49.73 76.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.954 -1.091 . . . . 0.0 110.313 -178.452 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.92 -45.0 96.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.74 -1.225 . . . . 0.0 109.597 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 81' ' ' TRP . 64.1 p -68.62 -40.08 80.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.243 -0.91 . . . . 0.0 109.717 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.14 -40.1 93.95 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.053 -1.03 . . . . 0.0 109.503 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.13 -40.04 88.36 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.55 -1.344 . . . . 0.0 108.438 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 64.1 t90 -60.03 -48.14 82.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.486 -0.758 . . . . 0.0 109.46 178.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.86 -39.99 95.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.093 -1.004 . . . . 0.0 109.378 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -62.21 -42.66 99.5 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.584 -0.698 . . . . 0.0 110.21 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.07 -43.03 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.798 -1.189 . . . . 0.0 109.281 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.92 -42.22 91.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.5 179.54 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -61.17 -40.3 93.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.393 -0.817 . . . . 0.0 110.986 -179.22 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -68.9 -39.99 79.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.667 -1.27 . . . . 0.0 109.608 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.26 -40.05 86.18 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.111 -0.993 . . . . 0.0 108.82 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 101' ' ' THR . 85.7 tt0 -60.51 -48.24 82.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.56 -0.712 . . . . 0.0 109.816 179.688 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.32 -44.28 95.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.407 -179.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.596 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.52 -45.0 95.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.14 -42.89 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 109.555 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 97' ' ' GLU . 44.8 p -60.31 -44.39 95.49 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.046 179.801 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.98 -48.72 80.51 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -44.51 94.71 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.35 -0.844 . . . . 0.0 109.907 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.6 -42.82 97.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.99 -49.21 78.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.78 -40.94 96.94 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.319 -0.863 . . . . 0.0 109.708 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.2 93.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.224 -0.922 . . . . 0.0 109.617 -179.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.12 -44.09 97.39 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.347 179.511 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.98 -50.06 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.209 -0.932 . . . . 0.0 109.849 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -68.56 -40.25 80.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.733 -1.229 . . . . 0.0 110.046 -179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -60.08 -45.59 92.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 109.681 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.42 -40.19 77.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.186 -0.946 . . . . 0.0 109.551 -179.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.0 -40.15 90.91 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -0.904 . . . . 0.0 109.942 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.42 -43.91 97.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.127 -0.983 . . . . 0.0 109.981 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.23 -41.11 86.24 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.164 -0.96 . . . . 0.0 108.909 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.547 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.5 t80 -60.33 -48.41 81.88 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.556 -0.715 . . . . 0.0 109.204 179.425 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.89 -40.1 94.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.491 -0.756 . . . . 0.0 109.449 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.93 -42.83 94.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.319 -0.863 . . . . 0.0 109.632 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.64 -41.48 97.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.979 -1.076 . . . . 0.0 109.971 -179.801 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.547 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 40.8 mmtm -62.65 -39.98 95.58 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.962 -1.086 . . . . 0.0 109.263 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.42 HD13 HH12 ' A' ' 4' ' ' ARG . 99.3 mt -59.95 -47.15 86.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -121.58 60.12 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.111 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.221 0.534 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.484 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 88.4 mt-30 -69.18 142.7 54.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.106 -0.996 . . . . 0.0 109.227 -179.721 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -91.15 58.95 3.85 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.415 -0.803 . . . . 0.0 109.494 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.484 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 55.6 mtt-85 -65.42 -39.33 91.99 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.395 -0.816 . . . . 0.0 109.044 179.072 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.506 HG23 ' N ' ' B' ' 6' ' ' LEU . 7.2 t -59.91 -42.08 93.09 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.295 -0.878 . . . . 0.0 109.281 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.506 ' N ' HG23 ' B' ' 5' ' ' THR . 64.6 tp -62.02 -41.66 98.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.144 -0.972 . . . . 0.0 108.795 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.07 -39.64 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.81 88.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.061 -1.024 . . . . 0.0 108.923 -179.215 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.98 80.01 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.15 -49.03 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.42 -1.047 . . . . 0.0 109.407 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.04 -46.96 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.031 -1.043 . . . . 0.0 109.464 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.205 -0.934 . . . . 0.0 109.132 179.083 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -59.91 -42.15 93.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.459 -0.775 . . . . 0.0 109.418 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.33 -42.14 95.02 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.103 -0.998 . . . . 0.0 109.427 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.18 -44.62 94.92 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.905 . . . . 0.0 109.215 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.2 -42.92 99.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.4 -42.58 99.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.047 -1.033 . . . . 0.0 109.228 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.46 -41.84 94.96 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.4 -0.813 . . . . 0.0 108.895 179.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.96 -48.68 80.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.42 -0.8 . . . . 0.0 109.717 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.38 -40.36 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 109.79 -179.505 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -41.61 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 0.0 108.498 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.51 -40.25 96.14 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.578 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.2 mmt180 -61.15 -40.99 95.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 109.368 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -40.09 89.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.513 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.92 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 0.0 109.456 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -41.93 98.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.87 -1.144 . . . . 0.0 109.247 179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.7 -40.73 96.07 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.381 -0.824 . . . . 0.0 108.931 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.57 -39.95 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.319 -0.863 . . . . 0.0 109.663 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.67 -40.03 90.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.968 -1.082 . . . . 0.0 109.334 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.443 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.8 mt -61.8 -40.28 94.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 0.0 109.655 -179.85 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.063 -1.023 . . . . 0.0 109.788 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.62 -40.7 85.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.293 -0.88 . . . . 0.0 109.22 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -60.3 -41.3 93.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 0.0 109.935 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -49.62 76.54 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.14 -49.15 78.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.036 -1.273 . . . . 0.0 109.758 -179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -59.97 -39.95 87.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.92 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.646 HD21 ' NH2' ' B' ' 41' ' ' ARG . 57.6 t-20 -59.92 -40.17 87.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 109.307 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.505 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.0 -39.9 87.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 -179.222 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -60.29 -40.44 90.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.749 -1.219 . . . . 0.0 108.368 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.646 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.7 mtt-85 -64.25 -40.05 95.21 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.55 -41.52 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.568 -0.708 . . . . 0.0 109.391 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.6 p -60.12 -40.04 88.33 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.723 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.89 77.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.784 -1.198 . . . . 0.0 109.219 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.68 -40.34 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.454 -0.779 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.84 -38.61 89.34 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.419 -1.426 . . . . 0.0 108.905 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.12 -48.76 80.38 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.248 -0.907 . . . . 0.0 109.239 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.569 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 37.3 m-85 -61.18 -40.12 92.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 109.674 179.273 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 mt -59.85 -40.04 87.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.672 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -59.91 -39.33 85.06 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.802 -1.186 . . . . 0.0 107.992 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.26 -39.77 83.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.0 109.367 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.58 ' NE2' ' OD1' ' C' ' 74' ' ' ASN . 2.8 mp0 -59.81 -39.62 85.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.723 -1.236 . . . . 0.0 108.935 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.69 76.07 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.883 -1.135 . . . . 0.0 108.147 179.147 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.16 -39.58 86.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 108.785 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.56 115.98 10.36 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 108.932 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.749 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 71.4 m-80 -133.74 -65.73 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -0.755 . . . . 0.0 110.336 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.701 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.03 118.56 5.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.109 -0.994 . . . . 0.0 109.791 -179.417 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.678 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.7 m95 -99.66 122.87 43.31 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.271 -0.893 . . . . 0.0 110.638 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 62.98 30.4 77.3 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.382 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.98 22.76 0.14 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.591 -1.535 . . . . 0.0 109.35 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.17 116.7 2.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.089 -1.007 . . . . 0.0 109.361 179.293 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.433 ' CD1' ' NE2' ' C' ' 64' ' ' GLN . 34.5 m-85 -116.68 12.0 14.81 Favored 'General case' 0 N--CA 1.509 2.507 0 O-C-N 121.317 -0.864 . . . . 0.0 110.969 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.609 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 62.1 mtp180 -138.36 24.91 2.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 177.392 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.468 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 37.9 mt-30 -141.37 152.31 44.25 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -103.58 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.124 -0.985 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.2 42.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.446 -0.784 . . . . 0.0 109.705 179.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.98 135.16 47.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.534 HG23 ' O ' ' B' ' 68' ' ' THR . 6.5 t -90.05 113.52 25.24 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.683 -1.261 . . . . 0.0 109.949 -178.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.553 ' O ' HG23 ' B' ' 69' ' ' THR . 10.3 t -113.65 122.73 48.05 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.749 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 82.3 t -130.38 84.12 60.52 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.467 -0.771 . . . . 0.0 109.64 -179.144 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -85.64 62.92 5.57 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.794 2.329 . . . . 0.0 111.787 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -70.05 132.29 88.46 Favored Pre-proline 0 N--CA 1.49 1.526 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -39.34 147.0 0.17 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.328 1.352 . . . . 0.0 111.249 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.584 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 58.5 t-20 -132.55 2.61 3.81 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.937 0.875 . . . . 0.0 108.948 -179.193 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.1 123.42 8.34 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.299 -0.876 . . . . 0.0 108.831 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.73 107.92 14.85 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.22 134.38 35.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.359 0.6 . . . . 0.0 109.386 -178.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.598 ' O ' HG23 ' B' ' 78' ' ' THR . 9.0 t -90.98 114.12 60.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 0.0 109.185 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -93.13 -46.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.885 1.723 . . . . 0.0 113.884 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . 0.437 ' O ' ' OD1' ' B' ' 83' ' ' ASN . 82.8 tttt -121.19 -45.81 2.33 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.156 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.86 -45.61 93.87 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.427 -1.421 . . . . 0.0 113.759 -175.734 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 58.9 t30 -77.33 -49.25 15.36 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 119.808 -1.808 . . . . 0.0 111.263 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 80' ' ' LYS . 18.8 p-10 -59.9 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.86 -1.15 . . . . 0.0 110.346 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.57 -45.09 95.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.729 -1.232 . . . . 0.0 109.818 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.496 HG23 ' O ' ' B' ' 81' ' ' TRP . 64.7 p -68.77 -39.96 79.94 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -65.33 -39.92 93.04 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 109.406 -179.731 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.722 -1.236 . . . . 0.0 108.553 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.42 -40.24 95.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 63.9 t90 -60.35 -48.56 81.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.508 -0.745 . . . . 0.0 109.308 179.2 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.37 -40.3 96.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.081 -1.012 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.93 -42.68 99.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 0.0 110.183 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.17 -42.43 94.96 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 109.269 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.31 -42.14 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.434 -0.791 . . . . 0.0 109.5 179.401 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.58 -40.15 93.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.322 -0.861 . . . . 0.0 111.174 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -68.8 -40.03 79.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.723 -1.236 . . . . 0.0 109.474 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.18 -40.46 86.58 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.007 -1.058 . . . . 0.0 108.727 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 101' ' ' THR . 85.9 tt0 -60.06 -48.61 81.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.481 -0.762 . . . . 0.0 109.731 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -44.55 94.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.184 -0.947 . . . . 0.0 109.658 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.586 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.38 -44.94 95.16 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.172 -0.955 . . . . 0.0 109.636 -179.73 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.13 -42.79 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 109.661 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 97' ' ' GLU . 43.9 p -60.33 -44.36 95.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.0 109.053 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.71 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.393 -0.817 . . . . 0.0 109.399 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.42 -44.58 95.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.749 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.54 -42.65 96.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.048 -1.033 . . . . 0.0 109.594 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.42 -48.79 80.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.286 -0.884 . . . . 0.0 109.386 -179.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.98 -41.01 97.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.5 -0.75 . . . . 0.0 109.904 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.878 . . . . 0.0 109.656 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.13 -43.91 97.79 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.005 -1.06 . . . . 0.0 109.39 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.02 -50.01 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.354 -0.841 . . . . 0.0 109.672 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.03 -39.99 78.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 110.045 -179.591 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -60.0 -45.47 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 109.714 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.54 -40.21 77.0 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.316 -0.865 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.0 -40.1 90.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 109.937 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.49 -43.97 97.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.064 . . . . 0.0 109.882 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.01 -41.14 87.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.168 -0.957 . . . . 0.0 108.967 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . 0.53 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.4 t80 -60.25 -48.64 80.88 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.528 -0.732 . . . . 0.0 109.272 179.333 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.59 -40.06 93.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.4 -0.813 . . . . 0.0 109.473 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 0.0 109.779 -179.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -62.01 -40.92 97.31 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.964 -1.085 . . . . 0.0 109.957 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . 0.53 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 41.0 mmtm -63.16 -39.97 96.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 109.075 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.405 HD13 HH12 ' B' ' 4' ' ' ARG . 97.3 mt -59.97 -47.44 85.79 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -121.68 60.37 0.96 Allowed 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.487 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.101 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.485 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 88.7 mt-30 -69.01 142.65 54.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.1 -1.0 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -90.98 58.8 3.88 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.2 -0.938 . . . . 0.0 109.517 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.485 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 55.2 mtt-85 -65.59 -39.7 91.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.217 -0.927 . . . . 0.0 108.891 179.134 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.516 HG23 ' N ' ' C' ' 6' ' ' LEU . 7.6 t -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.928 . . . . 0.0 109.278 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.516 ' N ' HG23 ' C' ' 5' ' ' THR . 64.9 tp -61.63 -41.65 97.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.089 -1.007 . . . . 0.0 108.815 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.08 -39.59 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 109.809 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.7 88.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.158 -0.964 . . . . 0.0 108.855 -179.425 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.68 -47.07 80.14 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 178.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.03 -49.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.408 -1.054 . . . . 0.0 109.463 179.475 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.99 -1.069 . . . . 0.0 109.288 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.16 -39.8 87.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.157 -0.965 . . . . 0.0 109.297 178.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.94 -41.19 91.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.401 -179.026 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -61.44 -42.17 98.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.11 -0.994 . . . . 0.0 109.38 179.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.24 -44.02 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.228 -0.92 . . . . 0.0 109.095 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.94 -41.97 98.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.926 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -41.75 98.8 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.035 -1.041 . . . . 0.0 109.287 179.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.13 -41.45 96.75 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.28 -0.887 . . . . 0.0 108.883 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.07 -49.24 78.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 109.692 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.14 -40.15 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.159 -0.963 . . . . 0.0 109.685 -179.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.15 -42.03 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.075 -1.015 . . . . 0.0 108.363 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.15 -40.24 95.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.484 -0.76 . . . . 0.0 109.221 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.596 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.92 -41.04 95.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.523 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.23 -40.1 89.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.187 -0.946 . . . . 0.0 109.64 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.05 -49.64 76.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.212 -0.93 . . . . 0.0 109.419 -179.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.75 -41.01 98.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.46 -40.27 96.08 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.939 179.312 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.79 -40.21 91.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.336 -0.852 . . . . 0.0 109.506 179.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.55 -40.02 90.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.0 mt -61.55 -39.98 93.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 0.0 109.615 -179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.9 p -63.46 -40.01 95.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.996 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.31 -41.01 85.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -60.34 -40.92 92.38 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.413 -0.804 . . . . 0.0 109.97 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -49.79 74.7 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.09 -48.71 80.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.947 -1.325 . . . . 0.0 109.919 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -60.21 -40.1 88.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.863 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.665 HD21 ' NH2' ' C' ' 41' ' ' ARG . 56.0 t-20 -59.88 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.308 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.3 -40.01 89.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.067 -1.021 . . . . 0.0 109.5 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.77 -40.34 87.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.041 -1.037 . . . . 0.0 109.13 -179.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.6 p -60.08 -40.37 89.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.735 -1.228 . . . . 0.0 108.458 179.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.665 ' NH2' HD21 ' C' ' 37' ' ' ASN . 26.5 mtt-85 -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.696 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.55 -41.24 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.647 -0.658 . . . . 0.0 109.41 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 60.5 p -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.946 -1.096 . . . . 0.0 109.56 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.902 -1.124 . . . . 0.0 109.203 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.88 -40.23 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 111.085 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.04 -38.26 87.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.358 -1.464 . . . . 0.0 108.889 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -59.97 -49.06 79.17 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.578 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 37.5 m-85 -61.18 -39.98 92.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.082 -1.011 . . . . 0.0 109.653 179.611 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.97 -39.93 87.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.143 -0.973 . . . . 0.0 109.58 -179.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.04 -39.23 85.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.794 -1.191 . . . . 0.0 108.039 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -39.69 85.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.0 109.369 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.578 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 2.8 mp0 -59.74 -39.69 85.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.685 -1.259 . . . . 0.0 108.946 179.591 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.87 76.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -59.92 -39.74 86.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.937 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 74.5 mt -70.32 115.98 10.13 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.02 -1.05 . . . . 0.0 108.908 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.76 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 72.0 m-80 -133.74 -66.01 0.65 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.456 -0.778 . . . . 0.0 110.25 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.678 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.08 118.51 5.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.178 -0.951 . . . . 0.0 109.851 -179.45 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.648 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.7 m95 -99.49 123.05 43.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.308 -0.87 . . . . 0.0 110.774 -179.547 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 62.49 30.65 77.08 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.485 178.148 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 22.51 0.14 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.53 -1.571 . . . . 0.0 109.127 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.93 117.26 2.26 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.197 -0.94 . . . . 0.0 109.441 179.42 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.461 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -117.48 11.69 13.93 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 121.27 -0.894 . . . . 0.0 111.055 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.584 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 62.4 mtp180 -138.15 25.09 2.74 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.393 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.433 ' NE2' ' CD1' ' B' ' 62' ' ' PHE . 38.6 mt-30 -141.57 152.32 43.96 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.209 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -104.05 56.62 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.147 -0.971 . . . . 0.0 108.671 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.23 42.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.676 . . . . 0.0 109.603 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -130.06 134.86 47.67 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.537 ' O ' HG23 ' C' ' 68' ' ' THR . 6.6 t -89.93 113.38 25.01 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.775 -1.203 . . . . 0.0 110.056 -178.651 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.544 ' O ' HG23 ' C' ' 69' ' ' THR . 9.7 t -113.14 122.95 49.07 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.76 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 67.8 t -130.22 84.03 61.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.457 -0.777 . . . . 0.0 109.651 -179.202 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -85.95 62.96 5.29 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.745 2.296 . . . . 0.0 111.743 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' C' ' 73' ' ' PRO . 21.2 t90 -69.95 132.33 88.63 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.854 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.402 ' C ' ' O ' ' C' ' 72' ' ' TRP . 93.5 Cg_exo -39.63 147.1 0.19 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.355 1.37 . . . . 0.0 111.285 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' B' ' 52' ' ' GLN . 58.6 t-20 -132.3 2.13 3.86 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.971 0.891 . . . . 0.0 109.039 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.72 123.53 8.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.344 -0.847 . . . . 0.0 108.915 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -81.77 107.62 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.99 134.56 35.71 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.165 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.592 HG23 ' O ' ' C' ' 78' ' ' THR . 9.4 t -90.71 114.03 59.92 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.388 -0.82 . . . . 0.0 109.225 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -93.33 -46.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.036 0 C-N-CA 121.816 1.677 . . . . 0.0 113.663 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . 0.431 ' O ' ' OD1' ' C' ' 83' ' ' ASN . 82.7 tttt -121.55 -45.33 2.31 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.035 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.2 p90 -61.47 -45.34 94.67 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.432 -1.417 . . . . 0.0 113.774 -175.585 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.629 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.6 t30 -77.54 -48.85 15.97 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 119.854 -1.778 . . . . 0.0 111.366 -178.579 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' C' ' 80' ' ' LYS . 18.0 p-10 -60.08 -50.03 75.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.071 . . . . 0.0 110.122 -178.576 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.26 -46.05 91.15 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.772 -1.205 . . . . 0.0 109.838 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 81' ' ' TRP . 64.5 p -67.9 -39.98 83.54 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 109.753 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -65.56 -39.81 92.1 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.492 -179.578 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.05 -40.11 88.28 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.662 -1.274 . . . . 0.0 108.445 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.93 -40.37 97.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.443 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.4 t90 -59.96 -47.72 84.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.495 -0.753 . . . . 0.0 109.465 178.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.134 -0.978 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -62.13 -42.64 99.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.553 -0.717 . . . . 0.0 110.158 -179.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.12 -43.01 95.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.833 -1.167 . . . . 0.0 109.272 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.77 -42.42 92.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.382 -0.823 . . . . 0.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.06 -40.39 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.0 111.153 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.808 -1.182 . . . . 0.0 109.592 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.34 -40.2 85.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.147 -0.971 . . . . 0.0 108.85 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.4 ' O ' HG23 ' C' ' 101' ' ' THR . 85.4 tt0 -60.21 -48.67 80.75 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.431 -0.793 . . . . 0.0 109.616 179.547 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.09 -44.37 94.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 109.629 -179.461 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.578 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.7 t-20 -60.05 -44.79 94.44 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.182 -0.949 . . . . 0.0 109.817 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.45 -42.84 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 0.0 109.521 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.4 HG23 ' O ' ' C' ' 97' ' ' GLU . 44.5 p -60.18 -43.93 95.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.154 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.76 79.55 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.369 -0.832 . . . . 0.0 109.42 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.2 -44.65 94.95 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.369 -0.832 . . . . 0.0 109.827 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.48 -42.85 97.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.965 . . . . 0.0 109.565 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.07 -49.0 79.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.97 -40.83 96.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.857 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.54 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 0.0 109.597 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.985 -1.072 . . . . 0.0 109.393 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.36 -50.05 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.21 -0.931 . . . . 0.0 109.688 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.87 -40.1 79.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.912 -1.118 . . . . 0.0 110.124 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.08 -45.52 92.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.084 -1.01 . . . . 0.0 109.659 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.62 -40.03 76.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -66.02 -40.1 90.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.133 -0.979 . . . . 0.0 109.897 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -62.39 -43.69 98.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.992 -1.067 . . . . 0.0 109.992 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.49 -41.08 85.13 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.951 . . . . 0.0 108.9 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . 0.554 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.521 -0.737 . . . . 0.0 109.246 179.25 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.66 -39.88 92.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.466 -0.771 . . . . 0.0 109.607 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.14 -42.59 95.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.426 -0.796 . . . . 0.0 109.534 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -61.68 -42.62 99.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.043 -1.035 . . . . 0.0 109.793 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . 0.554 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 41.2 mmtm -61.33 -40.02 92.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.034 -1.042 . . . . 0.0 109.601 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.415 HD13 HH12 ' C' ' 4' ' ' ARG . 99.8 mt -59.92 -47.41 85.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -121.62 60.02 0.96 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.029 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.135 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -72.78 145.28 47.16 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.192 -0.943 . . . . 0.0 109.097 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.37 61.61 6.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -61.97 -39.97 93.99 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 6' ' ' LEU . 15.2 t -60.35 -42.5 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.282 -0.887 . . . . 0.0 108.88 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 5' ' ' THR . 58.9 tp -60.05 -43.51 95.32 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.42 -39.9 95.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.614 -0.679 . . . . 0.0 109.203 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.04 91.5 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 108.862 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.88 -44.71 67.25 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.06 -49.95 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.091 . . . . 0.0 109.34 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -59.98 -47.51 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.11 -0.994 . . . . 0.0 109.198 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.0 109.14 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.01 -43.57 95.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.451 -0.781 . . . . 0.0 109.224 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.4 -41.4 93.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.24 -42.75 95.95 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.257 -0.902 . . . . 0.0 108.967 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.1 -40.87 95.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.065 -1.022 . . . . 0.0 109.536 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.17 -44.08 97.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.983 . . . . 0.0 109.035 179.201 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.69 -42.58 97.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.329 -0.857 . . . . 0.0 109.118 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.1 t0 -60.05 -47.22 86.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.381 -0.824 . . . . 0.0 109.96 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.0 -40.01 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.033 . . . . 0.0 109.445 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.96 -40.75 83.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.9 -40.56 95.87 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.68 -0.637 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.9 mpt_? -59.98 -42.83 95.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.143 -0.973 . . . . 0.0 108.885 179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.06 -40.05 88.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.192 -0.943 . . . . 0.0 109.109 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.403 HE22 HD13 ' A' ' 100' ' ' ILE . 3.2 tp-100 -59.96 -45.57 92.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.372 -0.83 . . . . 0.0 109.666 179.869 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.64 -41.41 83.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.552 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.126 -0.983 . . . . 0.0 109.339 179.48 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.94 -40.52 89.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.726 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.0 -39.94 91.63 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.078 -1.014 . . . . 0.0 109.361 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.1 mt -64.5 -40.12 95.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -61.98 -39.95 93.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.013 . . . . 0.0 109.376 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.99 -40.0 84.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.299 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -60.07 -47.94 83.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.35 -0.843 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.9 88.74 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.346 -179.081 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -59.96 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.964 -1.315 . . . . 0.0 109.353 -179.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -61.35 -39.94 92.44 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.316 -0.865 . . . . 0.0 109.035 179.043 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.597 HD21 HD21 ' B' ' 82' ' ' ASN . 43.8 t-20 -60.02 -40.01 87.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.452 -0.78 . . . . 0.0 109.505 -179.323 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.95 -40.03 87.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 108.486 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 109.135 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.5 p -60.02 -41.54 92.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.803 -1.186 . . . . 0.0 108.731 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.618 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 49.9 mtt-85 -61.91 -40.1 94.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.026 -1.047 . . . . 0.0 108.378 178.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.06 -42.6 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.618 -0.676 . . . . 0.0 110.035 -179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -59.96 -40.08 87.82 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.886 -1.134 . . . . 0.0 110.115 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.48 98.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.873 -1.142 . . . . 0.0 108.082 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.52 -39.77 82.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.845 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.05 -40.25 88.78 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.087 -1.008 . . . . 0.0 109.043 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.75 -42.33 99.62 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.398 -0.814 . . . . 0.0 109.708 179.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.0 m-85 -69.43 -38.07 77.71 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.21 -0.931 . . . . 0.0 109.616 179.747 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' HE22 ' C' ' 52' ' ' GLN . 49.5 mt -59.97 -39.96 87.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.922 -1.111 . . . . 0.0 109.239 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.76 -40.0 95.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.926 -1.109 . . . . 0.0 108.708 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.99 -39.96 87.52 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.063 -1.023 . . . . 0.0 109.054 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.433 HE22 ' CD2' ' B' ' 49' ' ' LEU . 37.3 mt-30 -60.7 -39.95 90.42 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.012 -1.055 . . . . 0.0 109.331 179.143 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.23 -32.6 64.6 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.953 -1.092 . . . . 0.0 108.262 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.27 -38.41 80.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.54 111.12 4.54 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 31.8 m120 -134.9 -69.28 0.51 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.314 -0.866 . . . . 0.0 109.62 -179.748 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.39 88.31 1.5 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.38 -0.825 . . . . 0.0 109.185 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' A' ' 60' ' ' ALA . 64.2 m95 -104.42 148.96 25.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.481 -0.762 . . . . 0.0 110.02 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.93 9.24 0.51 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.49 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -80.84 25.36 0.45 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.25 -1.147 . . . . 0.0 109.131 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.493 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -155.95 111.19 2.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.903 -1.123 . . . . 0.0 110.546 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -105.4 12.52 31.47 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 178.492 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 26.2 mmm180 -115.87 21.55 13.74 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 177.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.557 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -151.35 152.11 32.7 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.326 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -110.14 59.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.117 -0.99 . . . . 0.0 109.003 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.86 158.18 41.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.42 -0.8 . . . . 0.0 109.638 179.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -123.02 132.46 54.14 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.47 121.13 41.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.29 -0.881 . . . . 0.0 111.536 -177.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 69' ' ' THR . 10.5 t -109.8 119.33 39.04 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 85.3 t -123.24 90.33 50.49 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 121.445 -0.785 . . . . 0.0 109.577 -179.276 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.4 67.68 7.35 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 C-N-CA 122.584 2.189 . . . . 0.0 111.996 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' PRO . 21.8 t90 -69.0 131.15 90.99 Favored Pre-proline 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.79 . . . . 0.0 109.013 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' TRP . 61.4 Cg_exo -38.5 149.22 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.424 1.416 . . . . 0.0 111.425 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.4 OUTLIER -127.53 -60.09 1.19 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.318 -0.864 . . . . 0.0 109.254 -179.178 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 125.82 35.32 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -82.1 108.91 15.94 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.459 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.8 mt -82.15 137.1 35.04 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.321 0.581 . . . . 0.0 109.866 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -90.85 112.84 55.62 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.429 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -94.7 -47.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.997 0 C-N-CA 121.624 1.549 . . . . 0.0 114.609 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -119.93 -46.29 2.44 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.215 -0.928 . . . . 0.0 113.025 -176.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.672 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.7 p90 -59.98 -56.36 22.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.335 -1.478 . . . . 0.0 112.536 -176.286 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.672 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 20.2 t-20 -76.17 -38.02 57.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.142 -1.598 . . . . 0.0 109.966 -179.156 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.9 -44.24 94.36 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 -179.187 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.03 -45.87 91.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.128 -0.983 . . . . 0.0 108.433 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -67.39 -40.08 85.65 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 108.92 179.462 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -62.32 -40.06 95.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.008 . . . . 0.0 109.579 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.94 -41.29 91.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.639 -1.288 . . . . 0.0 108.312 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.07 -39.99 91.99 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.434 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 54.8 t90 -60.0 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.452 -0.78 . . . . 0.0 109.144 179.469 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.59 -40.79 97.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.128 -0.982 . . . . 0.0 109.375 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -63.19 -41.91 99.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 110.503 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.06 -43.67 98.54 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.75 -1.219 . . . . 0.0 109.601 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.14 -40.95 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.044 -1.035 . . . . 0.0 109.545 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.74 -40.07 91.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.135 -0.978 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.71 -40.01 80.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.622 -1.299 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.95 -40.03 94.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.939 . . . . 0.0 109.64 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.27 -40.33 95.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.047 -1.033 . . . . 0.0 110.274 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -69.15 -39.98 78.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.03 -1.043 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.84 -40.99 96.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.377 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.403 HD13 HE22 ' A' ' 25' ' ' GLN . 75.2 mt -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.4 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.918 . . . . 0.0 110.04 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.48 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.111 -0.993 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.34 -40.42 93.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.232 -0.917 . . . . 0.0 109.565 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.56 -40.65 97.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 0.0 109.163 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.98 -48.56 81.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.92 . . . . 0.0 109.242 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.42 -41.43 97.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.029 -1.044 . . . . 0.0 109.208 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.09 83.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.0 109.541 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.06 -45.06 94.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.689 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.35 -45.14 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.126 -0.984 . . . . 0.0 109.219 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.67 -39.96 76.69 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.404 -0.81 . . . . 0.0 109.991 -179.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.06 -50.0 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.062 -1.024 . . . . 0.0 109.778 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.54 -42.53 96.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -61.22 -42.12 98.05 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.254 -0.904 . . . . 0.0 109.746 -179.486 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.48 -44.76 93.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.396 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 52.5 ttp -67.51 -40.0 85.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.449 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -59.95 -43.8 94.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.513 -0.742 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.61 -39.92 88.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.056 -1.027 . . . . 0.0 109.042 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.1 -42.82 95.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.519 -0.738 . . . . 0.0 109.486 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.5 mt-30 -60.88 -42.02 97.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 110.176 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -60.69 -37.28 81.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.2 -0.938 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.86 -47.54 85.33 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -130.33 62.51 1.58 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.42 -0.8 . . . . 0.0 109.508 179.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.083 -1.011 . . . . 0.0 109.162 179.574 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.323 0.582 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -72.99 145.12 46.92 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.271 -0.893 . . . . 0.0 109.077 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.25 61.72 6.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.03 -40.03 94.32 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.493 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.4 t -60.35 -42.45 95.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.295 -0.878 . . . . 0.0 108.81 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.493 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -60.01 -43.81 94.99 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.471 -0.768 . . . . 0.0 109.311 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.34 91.98 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -44.82 70.06 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.94 -50.01 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.401 -1.058 . . . . 0.0 109.324 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -47.14 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.007 -1.058 . . . . 0.0 109.217 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.83 -40.01 96.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.959 . . . . 0.0 109.171 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -43.45 95.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.409 -0.807 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.43 -41.46 94.05 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.952 -1.092 . . . . 0.0 109.414 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.198 -0.938 . . . . 0.0 109.109 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.45 -40.42 93.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.228 -0.92 . . . . 0.0 109.503 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 17' ' ' LEU . 88.7 mt -61.4 -44.18 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.063 -1.023 . . . . 0.0 109.148 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.61 -42.64 97.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.473 -0.767 . . . . 0.0 109.131 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.494 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 53.4 t0 -60.02 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.426 -0.797 . . . . 0.0 109.863 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.97 -39.99 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.083 -1.01 . . . . 0.0 109.433 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.88 84.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 108.733 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.8 -40.2 94.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.6 -0.688 . . . . 0.0 109.548 179.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.494 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.9 mpt_? -60.42 -42.65 96.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.06 -1.025 . . . . 0.0 108.984 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.21 -40.01 88.6 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.014 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.414 HE22 HD13 ' B' ' 100' ' ' ILE . 3.2 tp-100 -60.02 -45.67 92.01 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.54 -41.12 84.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 -179.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.95 -40.89 99.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.298 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.02 -40.56 89.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.439 -0.788 . . . . 0.0 109.565 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.95 -40.08 91.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.029 -1.044 . . . . 0.0 109.265 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.428 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.7 mt -64.33 -40.09 95.2 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.206 -0.934 . . . . 0.0 109.698 -179.575 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -61.89 -40.0 93.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.03 -1.044 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.92 -40.13 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.426 -0.796 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -60.0 -47.9 83.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.338 -0.851 . . . . 0.0 110.459 -179.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.82 89.12 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.403 -179.2 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.976 -1.308 . . . . 0.0 109.381 -179.225 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.4 -40.04 92.93 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.271 -0.893 . . . . 0.0 108.992 179.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.624 HD21 HD21 ' C' ' 82' ' ' ASN . 43.8 t-20 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.442 -0.786 . . . . 0.0 109.503 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.03 -39.91 87.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.913 -1.117 . . . . 0.0 108.445 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.07 -40.13 88.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.218 -0.926 . . . . 0.0 109.112 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 70.6 p -60.1 -41.01 91.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.824 -1.173 . . . . 0.0 108.709 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.602 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 48.7 mtt-85 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.689 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.83 -42.79 93.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.654 -0.654 . . . . 0.0 109.936 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.6 p -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.888 -1.132 . . . . 0.0 110.197 -179.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.137 . . . . 0.0 108.117 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.28 -39.81 81.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 CA-C-O 121.183 0.516 . . . . 0.0 109.816 179.158 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.02 -40.88 90.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.088 -1.008 . . . . 0.0 108.87 -178.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.09 -42.6 99.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.393 -0.817 . . . . 0.0 109.621 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.7 m-85 -69.22 -38.08 78.35 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.0 109.761 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.433 ' CD2' HE22 ' A' ' 52' ' ' GLN . 50.7 mt -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.914 -1.116 . . . . 0.0 109.106 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.51 -39.97 95.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.805 -1.185 . . . . 0.0 108.658 178.591 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.09 -40.11 88.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.057 -1.027 . . . . 0.0 108.996 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.424 HE22 ' CD2' ' C' ' 49' ' ' LEU . 37.7 mt-30 -60.38 -39.94 89.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 109.467 179.109 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.52 64.5 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.831 -1.168 . . . . 0.0 108.293 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.36 -38.3 80.08 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 mt -68.74 110.65 4.41 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 31.9 m120 -134.47 -68.95 0.53 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 0.0 109.915 -179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.5 88.09 1.48 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.187 -0.945 . . . . 0.0 109.027 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.474 ' C ' ' H ' ' B' ' 60' ' ' ALA . 64.2 m95 -104.39 149.03 25.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.442 -0.786 . . . . 0.0 110.058 -179.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.9 8.83 0.45 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.254 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -80.26 25.46 0.39 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.121 -1.223 . . . . 0.0 109.209 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.501 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -156.03 111.29 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.906 -1.121 . . . . 0.0 110.563 -179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -105.47 12.7 31.14 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.393 -0.817 . . . . 0.0 109.903 178.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.507 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 26.0 mmm180 -115.94 21.39 13.83 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 177.455 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.539 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -151.18 151.93 32.6 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.214 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -109.93 59.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.055 -1.028 . . . . 0.0 109.095 179.482 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.93 158.55 42.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.484 -0.76 . . . . 0.0 109.593 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -123.48 132.56 53.96 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.002 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.65 121.37 41.52 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.222 -0.924 . . . . 0.0 111.515 -177.608 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.591 ' O ' HG23 ' B' ' 69' ' ' THR . 10.6 t -109.9 119.31 38.93 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.681 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.423 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 84.3 t -123.32 90.21 50.59 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.304 -0.872 . . . . 0.0 109.568 -179.26 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.22 67.47 7.55 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.625 2.216 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 21.8 t90 -68.83 131.27 91.17 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.486 -0.759 . . . . 0.0 108.993 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 61.5 Cg_exo -38.59 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.244 0 C-N-CA 121.515 1.477 . . . . 0.0 111.297 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -127.45 -59.98 1.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.296 -0.877 . . . . 0.0 109.272 -179.252 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.53 125.54 35.24 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.93 108.95 15.85 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.046 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.07 136.98 35.14 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.996 -178.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.655 ' O ' HG23 ' B' ' 78' ' ' THR . 15.2 t -90.58 112.71 54.62 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.315 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -94.57 -46.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 121.671 1.58 . . . . 0.0 114.728 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -120.17 -46.34 2.42 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.184 -0.947 . . . . 0.0 113.032 -176.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.8 p90 -60.01 -56.49 21.04 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.408 -1.432 . . . . 0.0 112.526 -176.298 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 20.1 t-20 -75.91 -38.25 57.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.104 -1.622 . . . . 0.0 110.0 -179.227 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -60.02 -43.95 94.94 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.193 -0.942 . . . . 0.0 109.063 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -45.97 90.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 108.45 178.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 75.1 p -67.26 -40.03 86.18 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.378 -0.826 . . . . 0.0 109.059 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.416 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.8 t-105 -62.53 -40.0 95.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.96 -40.98 90.92 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.563 -1.336 . . . . 0.0 108.445 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.34 -40.01 92.68 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.416 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 53.9 t90 -59.99 -48.39 81.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.62 -40.37 96.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.173 -0.955 . . . . 0.0 109.595 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -63.64 -41.9 98.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 110.312 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.69 -43.77 97.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.879 -1.138 . . . . 0.0 109.857 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -40.71 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.8 -40.0 91.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.077 -1.014 . . . . 0.0 111.148 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -68.98 -40.04 79.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.617 -1.302 . . . . 0.0 109.655 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.72 -40.18 94.89 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.162 -0.961 . . . . 0.0 109.646 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.97 -40.99 97.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.167 -179.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -68.68 -39.95 80.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.997 -1.064 . . . . 0.0 109.493 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.98 -40.6 95.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.275 -0.891 . . . . 0.0 109.332 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.414 HD13 HE22 ' B' ' 25' ' ' GLN . 75.5 mt -62.76 -46.53 96.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.203 -0.936 . . . . 0.0 109.245 179.378 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.9 p -59.99 -42.13 93.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.126 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.39 -40.32 93.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.207 -0.933 . . . . 0.0 109.666 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -40.85 97.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.086 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.0 -48.4 81.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.106 -0.996 . . . . 0.0 109.243 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.1 -41.86 97.45 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.013 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.17 83.74 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.338 -0.851 . . . . 0.0 109.623 179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.1 -44.99 94.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.963 . . . . 0.0 109.619 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.07 -45.4 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.008 -1.058 . . . . 0.0 109.297 179.65 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -69.6 -40.0 76.91 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.358 -0.839 . . . . 0.0 110.105 -179.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -50.05 75.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.056 -1.028 . . . . 0.0 109.728 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -42.5 95.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 109.474 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -61.54 -41.68 97.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.281 -0.887 . . . . 0.0 109.662 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.84 -44.84 91.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.096 -1.002 . . . . 0.0 109.246 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttp -67.39 -40.0 85.63 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 108.816 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.99 -43.85 94.91 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.446 -0.784 . . . . 0.0 109.565 -179.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.4 -40.04 89.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.987 -1.071 . . . . 0.0 109.1 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.12 -42.73 95.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.482 -0.762 . . . . 0.0 109.592 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.5 mt-30 -60.95 -42.09 97.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.163 -0.96 . . . . 0.0 110.055 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.4 -37.63 81.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.234 -0.916 . . . . 0.0 109.422 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.68 -47.26 86.32 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -130.61 62.31 1.6 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.569 -0.707 . . . . 0.0 109.455 179.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.491 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.022 -1.049 . . . . 0.0 109.127 179.606 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -72.7 145.05 47.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.338 -0.851 . . . . 0.0 109.121 179.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.28 61.97 6.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.073 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -62.25 -40.04 94.86 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.479 -0.763 . . . . 0.0 108.952 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.506 HG23 ' N ' ' C' ' 6' ' ' LEU . 15.3 t -60.17 -42.64 95.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 108.857 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.506 ' N ' HG23 ' C' ' 5' ' ' THR . 59.1 tp -59.95 -43.58 94.94 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.31 -39.97 96.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.499 -0.75 . . . . 0.0 109.183 178.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.24 91.96 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.226 -0.921 . . . . 0.0 108.794 -179.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.8 -44.47 69.35 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 178.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -49.97 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -1.097 . . . . 0.0 109.473 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.13 -47.19 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.253 -0.905 . . . . 0.0 109.212 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.82 -40.07 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 109.065 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.9 -43.71 94.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.361 -0.837 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.26 -41.49 93.36 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.972 -1.08 . . . . 0.0 109.492 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.11 -42.6 95.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.282 -0.886 . . . . 0.0 109.071 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.35 -40.78 94.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.444 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.13 -44.33 97.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.02 -1.05 . . . . 0.0 109.131 179.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.25 -42.71 95.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.361 -0.837 . . . . 0.0 109.174 179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . 0.482 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.0 t0 -59.96 -47.24 86.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 110.003 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.93 -40.05 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -40.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.85 -40.26 94.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.606 -0.684 . . . . 0.0 109.586 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.482 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.9 mpt_? -60.38 -42.77 96.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 108.909 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 0.0 108.991 179.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -60.05 -45.67 92.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.388 -0.82 . . . . 0.0 109.61 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.59 -41.15 84.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.0 -40.72 98.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.34 179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.04 -40.75 90.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 109.585 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.72 -39.95 90.52 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.966 -1.084 . . . . 0.0 109.408 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.434 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.9 mt -64.43 -40.25 95.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.217 -0.927 . . . . 0.0 109.62 -179.612 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -61.73 -40.0 93.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.058 -1.026 . . . . 0.0 109.484 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.01 -40.06 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.421 -0.799 . . . . 0.0 109.311 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -59.97 -48.07 83.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -0.886 . . . . 0.0 110.448 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -47.76 89.42 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.409 -179.186 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.925 -1.338 . . . . 0.0 109.343 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -61.3 -39.99 92.49 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.286 -0.884 . . . . 0.0 109.1 179.101 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.61 HD21 HD21 ' A' ' 82' ' ' ASN . 44.1 t-20 -59.94 -40.03 87.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.464 -0.773 . . . . 0.0 109.558 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.99 -40.07 87.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.838 -1.164 . . . . 0.0 108.388 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.93 -40.05 87.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.257 179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -60.12 -41.14 91.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.69 -1.256 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.621 ' NH2' ' ND2' ' A' ' 82' ' ' ASN . 49.6 mtt-85 -62.4 -39.94 94.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.082 -1.011 . . . . 0.0 108.314 178.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.08 -42.74 94.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.65 -0.656 . . . . 0.0 109.909 -179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.1 p -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.88 -1.138 . . . . 0.0 110.058 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.47 98.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.163 . . . . 0.0 108.086 179.062 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.43 -39.69 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.881 -0.512 . . . . 0.0 109.869 179.23 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.97 -40.36 88.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.158 -0.964 . . . . 0.0 109.122 -178.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.63 -42.49 99.62 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.382 -0.824 . . . . 0.0 109.684 179.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 63.7 m-85 -69.18 -38.21 78.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.31 -0.869 . . . . 0.0 109.691 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.424 ' CD2' HE22 ' B' ' 52' ' ' GLN . 50.0 mt -60.0 -40.05 87.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.978 -1.076 . . . . 0.0 109.176 179.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -63.44 -40.0 95.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.906 -1.121 . . . . 0.0 108.759 178.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 0.0 109.097 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.424 HE22 ' CD2' ' A' ' 49' ' ' LEU . 37.7 mt-30 -60.56 -39.92 89.73 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.897 -1.127 . . . . 0.0 109.3 179.117 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.32 -32.45 64.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.968 -1.082 . . . . 0.0 108.233 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.51 -38.17 80.25 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.73 110.73 4.45 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 31.8 m120 -134.63 -69.08 0.52 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.405 -0.81 . . . . 0.0 109.734 -179.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.43 88.04 1.48 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.334 -0.854 . . . . 0.0 109.168 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.468 ' C ' ' H ' ' C' ' 60' ' ' ALA . 64.8 m95 -104.31 148.95 25.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.531 -0.731 . . . . 0.0 110.09 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.97 9.29 0.53 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -80.93 25.33 0.46 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.322 -1.105 . . . . 0.0 109.114 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.491 ' HB1' ' NE2' ' C' ' 64' ' ' GLN . . . -155.94 111.29 2.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.005 -1.059 . . . . 0.0 110.568 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -105.55 12.78 30.91 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.485 -0.76 . . . . 0.0 109.846 178.584 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.507 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 25.7 mmm180 -116.09 21.53 13.64 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.543 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -151.33 152.01 32.56 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.243 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -109.94 59.51 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.032 -1.043 . . . . 0.0 109.033 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.81 158.38 42.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 109.719 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -123.27 132.33 53.98 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.42 121.12 41.01 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.207 -0.933 . . . . 0.0 111.415 -177.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.601 ' O ' HG23 ' C' ' 69' ' ' THR . 10.3 t -109.75 119.37 39.16 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 87.3 t -123.28 90.49 50.42 Favored Pre-proline 0 N--CA 1.5 2.038 0 O-C-N 121.319 -0.863 . . . . 0.0 109.494 -179.249 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.49 67.57 7.31 Favored 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 122.555 2.17 . . . . 0.0 111.936 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' C' ' 73' ' ' PRO . 21.5 t90 -68.8 131.21 91.24 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.368 -0.833 . . . . 0.0 108.966 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' C' ' 72' ' ' TRP . 58.7 Cg_exo -38.4 149.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.531 1.488 . . . . 0.0 111.388 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.4 OUTLIER -127.52 -60.04 1.19 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.273 -0.892 . . . . 0.0 109.283 -179.299 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.58 125.67 35.31 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m -81.88 108.97 15.82 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.1 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.5 mt -82.21 136.85 35.03 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.374 0.607 . . . . 0.0 109.947 -178.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.65 HG23 ' O ' ' C' ' 78' ' ' THR . 15.2 t -90.58 112.75 54.83 Favored Pre-proline 0 N--CA 1.494 1.768 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.42 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -94.68 -47.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.045 0 C-N-CA 121.65 1.567 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -119.97 -46.43 2.43 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.253 -0.904 . . . . 0.0 112.99 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -60.04 -56.22 24.29 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.339 -1.476 . . . . 0.0 112.502 -176.264 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.682 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 20.9 t-20 -76.33 -37.83 56.8 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.077 -1.64 . . . . 0.0 109.856 -179.021 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -59.98 -44.23 94.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.222 -0.924 . . . . 0.0 109.085 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -46.0 90.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.102 -0.999 . . . . 0.0 108.503 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.7 p -67.25 -40.02 86.2 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.0 108.981 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.414 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 38.1 t-105 -62.65 -39.92 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.091 -1.005 . . . . 0.0 109.561 -179.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.12 -40.64 90.44 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.587 -1.32 . . . . 0.0 108.447 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -61.68 -39.85 92.9 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.428 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 54.5 t90 -60.1 -48.62 80.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -41.05 98.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.037 -1.039 . . . . 0.0 109.567 179.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -63.1 -41.83 99.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 110.539 -179.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.92 -43.49 98.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.866 -1.146 . . . . 0.0 109.743 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.61 -40.54 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.01 -40.02 91.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.147 -0.97 . . . . 0.0 111.162 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -68.96 -39.97 79.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.638 -1.289 . . . . 0.0 109.59 -179.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.13 -0.981 . . . . 0.0 109.657 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.98 -40.43 96.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 110.201 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.985 -1.072 . . . . 0.0 109.479 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.83 -40.83 95.83 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.206 -0.934 . . . . 0.0 109.328 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.56 -46.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.25 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.1 p -60.03 -42.34 94.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.218 -0.926 . . . . 0.0 109.972 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.45 96.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.058 -1.026 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.27 -40.43 93.91 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.222 -0.924 . . . . 0.0 109.63 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.56 -40.79 97.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.068 -1.02 . . . . 0.0 109.222 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.02 -48.14 82.93 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.156 -0.965 . . . . 0.0 109.302 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.6 -41.55 97.61 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.178 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.2 83.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.557 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -59.94 -45.23 93.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.771 -179.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.16 -45.44 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.23 -0.919 . . . . 0.0 109.207 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -69.44 -39.98 77.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.17 -49.96 75.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.994 -1.066 . . . . 0.0 109.783 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.17 -42.93 96.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.05 -41.85 97.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.286 -0.884 . . . . 0.0 109.799 -179.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -63.67 -44.85 92.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.98 -1.075 . . . . 0.0 109.259 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 51.7 ttp -67.58 -40.01 84.86 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.348 -0.845 . . . . 0.0 108.729 179.453 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.96 -43.73 94.88 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.435 -0.791 . . . . 0.0 109.588 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.59 -40.01 88.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 0.0 108.922 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.29 -42.3 95.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.478 -0.764 . . . . 0.0 109.704 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.5 mt-30 -61.05 -42.66 98.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.098 -1.002 . . . . 0.0 110.106 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.96 -37.86 80.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 179.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.34 -47.44 85.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -130.55 62.5 1.59 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.61 -0.681 . . . . 0.0 109.431 179.314 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.135 179.654 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -70.33 144.02 51.81 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.271 -0.893 . . . . 0.0 109.076 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -89.33 58.53 4.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -0.963 . . . . 0.0 109.566 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -62.64 -39.98 95.56 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 108.753 179.421 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.5 t -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.425 -0.797 . . . . 0.0 109.74 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' N ' HG23 ' A' ' 5' ' ' THR . 58.6 tp -59.98 -45.83 91.44 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.394 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.55 -40.02 93.19 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.17 88.15 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.84 63.89 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.95 -47.66 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -1.081 . . . . 0.0 109.317 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.94 -47.42 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.0 108.916 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.72 -39.96 90.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 109.892 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.05 -40.96 91.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.084 -1.01 . . . . 0.0 109.103 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.62 -40.06 90.5 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.141 -0.974 . . . . 0.0 109.04 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.94 -44.24 94.5 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.094 -1.003 . . . . 0.0 108.986 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.34 -42.87 96.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.164 -0.96 . . . . 0.0 109.265 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.28 -42.08 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.196 -0.94 . . . . 0.0 109.095 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.09 -43.78 95.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.402 -0.811 . . . . 0.0 109.273 179.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.11 -47.97 83.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.302 -0.873 . . . . 0.0 110.016 -179.322 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.99 -40.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.314 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -44.92 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.935 . . . . 0.0 109.064 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -41.55 92.41 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.502 -0.749 . . . . 0.0 109.036 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 52.3 mtt-85 -60.88 -40.01 91.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.729 -179.598 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.14 -40.03 88.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.176 -0.952 . . . . 0.0 109.142 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.964 . . . . 0.0 108.899 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.44 -42.33 95.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 0.0 109.161 179.623 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 HD13 ' B' ' 28' ' ' LEU . 23.8 tp -61.19 -41.85 97.54 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.358 -0.839 . . . . 0.0 109.023 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 HD23 ' C' ' 27' ' ' LEU . 23.1 mt -60.06 -40.4 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.422 -0.799 . . . . 0.0 109.587 179.654 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.97 -40.1 87.92 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.069 -1.019 . . . . 0.0 109.143 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.9 mt -61.5 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.983 -1.073 . . . . 0.0 109.602 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.2 p -62.83 -40.03 96.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.098 -1.001 . . . . 0.0 109.418 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.35 -40.23 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.02 -41.2 91.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -48.38 86.35 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.118 -1.225 . . . . 0.0 109.878 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.38 -40.03 89.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.187 -0.945 . . . . 0.0 109.917 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.459 HD21 HH21 ' A' ' 41' ' ' ARG . 48.1 t-20 -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.038 -1.039 . . . . 0.0 109.163 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.87 -40.09 91.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.955 -1.091 . . . . 0.0 109.447 179.56 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -59.97 -40.83 90.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 43' ' ' THR . 72.7 p -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 39.2 mtt-85 -67.84 -39.18 83.89 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.108 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -41.99 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.088 -1.008 . . . . 0.0 108.496 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 40' ' ' THR . 82.0 p -60.14 -40.26 89.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.007 -1.058 . . . . 0.0 108.845 179.252 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.98 97.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.282 -1.511 . . . . 0.0 108.804 178.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.61 -40.0 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.535 -0.728 . . . . 0.0 110.247 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.843 -1.161 . . . . 0.0 109.541 -179.118 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.28 -39.99 96.14 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.711 -1.243 . . . . 0.0 109.677 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.7 m-85 -69.21 -40.04 78.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.068 -1.02 . . . . 0.0 109.811 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.549 -1.344 . . . . 0.0 108.789 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.54 -40.01 89.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.938 -1.101 . . . . 0.0 108.74 178.524 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.55 86.2 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.765 HE22 HD21 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.3 -40.01 84.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.099 -1.0 . . . . 0.0 108.643 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.93 77.57 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.835 -1.166 . . . . 0.0 108.208 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -39.93 87.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.09 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.95 114.85 8.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.006 -1.058 . . . . 0.0 108.408 179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -133.43 -58.89 0.88 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.372 -0.83 . . . . 0.0 110.819 -179.101 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.732 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.1 117.25 4.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.11 -0.994 . . . . 0.0 110.421 -178.559 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.702 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 83.6 m95 -102.28 125.2 48.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.327 -0.858 . . . . 0.0 110.327 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.43 24.73 71.0 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.816 -1.183 . . . . 0.0 110.591 178.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.03 23.28 0.14 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.651 -1.499 . . . . 0.0 108.852 -179.778 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.7 115.28 2.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -117.04 11.74 14.34 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.261 -0.899 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -138.51 25.07 2.65 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 177.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.437 ' NE2' ' CD1' ' C' ' 62' ' ' PHE . 33.3 mt-30 -142.79 152.88 42.72 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.643 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.74 57.69 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.972 -1.08 . . . . 0.0 108.662 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 157.53 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.415 -0.803 . . . . 0.0 109.984 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -130.19 134.08 47.03 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 68' ' ' THR . 8.8 t -88.98 113.58 24.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.297 . . . . 0.0 109.488 -178.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 69' ' ' THR . 8.9 t -113.26 122.79 48.51 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -129.15 81.84 69.69 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 109.738 -178.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.63 61.43 5.36 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.912 2.408 . . . . 0.0 111.651 179.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.8 t90 -70.28 130.14 89.74 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 109.549 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.0 Cg_exo -40.61 148.85 0.18 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.268 1.312 . . . . 0.0 110.808 179.149 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.725 HD21 HE22 ' C' ' 52' ' ' GLN . 6.7 t-20 -127.83 -48.27 1.37 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.304 -0.872 . . . . 0.0 109.767 -179.101 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.29 126.66 35.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 108.645 179.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.28 110.32 15.61 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.82 135.17 36.41 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.675 0.75 . . . . 0.0 109.795 -178.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 78' ' ' THR . 5.3 t -92.23 113.86 60.47 Favored Pre-proline 0 N--CA 1.492 1.659 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -90.26 -48.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.153 0 C-N-CA 121.655 1.57 . . . . 0.0 113.946 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.89 2.3 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -177.063 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -60.03 -47.83 84.22 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.288 -1.508 . . . . 0.0 112.611 -175.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.4 t30 -70.39 -44.87 67.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 119.89 -1.756 . . . . 0.0 110.04 -179.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.47 ' ND2' ' NE2' ' A' ' 87' ' ' GLN . 2.0 t-20 -60.13 -49.94 75.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.162 -0.961 . . . . 0.0 110.765 -178.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -64.89 -41.95 95.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.741 -1.225 . . . . 0.0 109.927 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.7 p -70.04 -40.02 75.4 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.114 -0.992 . . . . 0.0 109.692 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.437 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 39.9 t-105 -68.34 -39.98 81.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.398 -179.463 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.47 ' NE2' ' ND2' ' A' ' 83' ' ' ASN . 44.9 mt-30 -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.746 -1.221 . . . . 0.0 108.457 179.307 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -42.95 95.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.3 t90 -59.97 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.44 -0.787 . . . . 0.0 109.157 179.082 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.14 -41.62 98.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.352 -0.842 . . . . 0.0 109.277 179.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.26 -42.94 96.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 110.505 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.48 94.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.674 -1.266 . . . . 0.0 109.14 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.99 -40.97 89.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.284 -0.885 . . . . 0.0 108.831 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.01 -48.18 82.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.44 -0.788 . . . . 0.0 110.021 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -60.46 -47.58 85.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.938 -1.101 . . . . 0.0 109.632 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.59 -42.07 98.33 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.26 -0.9 . . . . 0.0 109.319 -179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.99 -46.11 92.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.53 -41.9 96.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.987 -179.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.464 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 47.0 t-20 -66.17 -40.03 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.225 -0.922 . . . . 0.0 109.662 -179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.18 -40.13 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 0.0 109.587 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -60.95 -40.62 94.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.0 109.622 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.01 75.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.346 -0.846 . . . . 0.0 109.783 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.09 -42.35 99.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -49.98 75.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 108.862 179.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -48.53 81.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.365 -0.834 . . . . 0.0 109.116 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.99 -40.98 95.54 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.304 -0.872 . . . . 0.0 109.353 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.43 97.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 109.719 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.07 -47.32 86.36 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.152 -0.968 . . . . 0.0 109.135 -179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.53 -50.01 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.008 . . . . 0.0 109.134 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.15 -40.14 96.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.497 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.95 -49.0 79.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.741 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.45 -40.04 94.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 109.677 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -62.38 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.08 -1.012 . . . . 0.0 109.75 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.43 -43.48 98.79 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.091 -1.005 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.85 -41.17 97.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.365 -0.834 . . . . 0.0 109.704 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.061 -1.024 . . . . 0.0 109.139 179.28 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -39.72 86.63 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.448 -0.782 . . . . 0.0 108.983 179.275 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.3 -42.86 92.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.484 -0.76 . . . . 0.0 109.249 -179.192 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.15 -40.06 94.7 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.113 -0.992 . . . . 0.0 109.712 179.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -60.01 -34.32 73.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.33 -0.856 . . . . 0.0 109.603 -179.43 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.7 mt -56.82 -47.74 79.61 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.998 -1.064 . . . . 0.0 108.451 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -145.27 66.38 1.24 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.042 -1.036 . . . . 0.0 109.866 179.168 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 117.898 -1.048 . . . . 0.0 108.739 179.11 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -70.29 144.13 51.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.111 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -89.55 58.89 4.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.385 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -63.11 -40.03 96.43 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.466 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -59.99 -40.9 90.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.431 -0.793 . . . . 0.0 109.754 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.466 ' N ' HG23 ' B' ' 5' ' ' THR . 59.3 tp -59.93 -46.22 90.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.401 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.15 -39.95 92.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.663 -0.648 . . . . 0.0 109.328 178.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.7 90.02 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.34 -47.12 65.28 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 178.761 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.93 -47.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.288 -1.125 . . . . 0.0 109.234 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.8 t -59.94 -47.3 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.049 -1.032 . . . . 0.0 109.254 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.79 -40.03 91.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.89 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.0 -41.0 91.16 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.0 109.242 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.41 -40.11 89.82 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.005 -1.059 . . . . 0.0 109.079 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.02 -43.85 94.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.331 -0.856 . . . . 0.0 109.019 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -42.55 98.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.167 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.6 -42.08 99.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.96 . . . . 0.0 109.098 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.0 tp -60.05 -43.71 95.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.0 109.133 179.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.94 -47.94 83.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.04 -40.03 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -44.94 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.152 -0.967 . . . . 0.0 109.081 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -41.49 92.56 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.486 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 50.4 mtt-85 -61.1 -40.07 92.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.632 -0.668 . . . . 0.0 109.548 -179.559 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.04 -39.99 87.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.17 -0.956 . . . . 0.0 109.145 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.02 -49.77 76.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -42.29 97.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.011 -1.056 . . . . 0.0 108.953 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.19 -41.62 97.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.437 -0.79 . . . . 0.0 109.052 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.43 HD13 HD23 ' A' ' 27' ' ' LEU . 21.6 mt -60.34 -40.02 89.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 109.554 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.25 -40.11 89.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.149 -0.969 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.465 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.6 mt -61.55 -41.87 98.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.882 . . . . 0.0 109.562 179.517 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -63.03 -40.05 96.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.061 -1.024 . . . . 0.0 109.229 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.61 -40.0 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.301 -0.875 . . . . 0.0 108.835 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.441 -0.787 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.77 -48.31 86.7 Favored Glycine 0 N--CA 1.487 2.077 0 C-N-CA 119.422 -1.37 . . . . 0.0 109.714 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.05 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.057 -1.261 . . . . 0.0 109.944 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.15 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.456 HD21 HH21 ' B' ' 41' ' ' ARG . 47.9 t-20 -60.05 -39.93 87.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.985 . . . . 0.0 109.154 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.05 -40.01 92.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.026 -1.046 . . . . 0.0 109.554 179.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.02 -40.84 90.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.025 . . . . 0.0 109.858 -179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.3 p -60.11 -40.0 88.14 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.509 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 39.5 mtt-85 -67.76 -39.1 84.18 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -42.04 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.065 -1.022 . . . . 0.0 108.44 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 82.5 p -60.02 -40.24 88.6 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.942 -1.099 . . . . 0.0 108.907 179.132 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.52 98.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.38 -1.45 . . . . 0.0 108.689 178.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.01 -39.96 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.51 -0.744 . . . . 0.0 110.338 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.91 -1.119 . . . . 0.0 109.489 -179.13 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -63.31 -39.99 96.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.774 -1.204 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.1 m-85 -69.07 -39.97 78.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.685 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.0 -40.56 89.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.673 -1.267 . . . . 0.0 108.755 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -60.33 -40.09 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.042 -1.036 . . . . 0.0 108.679 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.96 -39.63 86.27 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.742 HE22 HD21 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.32 -39.73 84.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.096 -1.002 . . . . 0.0 108.637 -179.841 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.95 78.7 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.816 -1.178 . . . . 0.0 108.217 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.96 -39.97 87.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.971 . . . . 0.0 108.975 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -69.86 114.61 8.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.039 -1.038 . . . . 0.0 108.366 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -133.23 -58.94 0.89 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.417 -0.802 . . . . 0.0 110.782 -179.169 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.702 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.97 117.05 4.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.082 -1.011 . . . . 0.0 110.531 -178.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.705 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 83.8 m95 -102.05 124.97 48.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.275 -0.891 . . . . 0.0 110.473 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.64 24.55 71.2 Favored Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.809 -1.186 . . . . 0.0 110.516 178.542 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.448 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.71 22.36 0.14 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.799 -1.412 . . . . 0.0 109.015 -179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.58 115.84 2.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.305 -0.872 . . . . 0.0 108.981 179.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -117.5 12.08 14.03 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.257 -0.902 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -139.02 25.44 2.51 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -143.11 153.22 42.68 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.14 57.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.101 -0.999 . . . . 0.0 108.554 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.23 157.5 41.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.393 -0.817 . . . . 0.0 109.972 179.541 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -130.01 134.3 47.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 68' ' ' THR . 8.8 t -89.28 113.7 24.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.561 -1.337 . . . . 0.0 109.54 -178.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.528 ' O ' HG23 ' B' ' 69' ' ' THR . 8.9 t -113.32 122.51 47.61 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -128.62 81.88 69.78 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.42 61.26 5.52 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.74 2.293 . . . . 0.0 111.801 179.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 12.7 t90 -70.09 130.15 90.02 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.434 -0.791 . . . . 0.0 109.548 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 91.3 Cg_exo -40.71 148.73 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.358 1.372 . . . . 0.0 110.774 179.152 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.765 HD21 HE22 ' A' ' 52' ' ' GLN . 6.6 t-20 -127.63 -48.21 1.4 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.334 -0.854 . . . . 0.0 109.709 -179.065 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.86 36.04 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.199 -0.938 . . . . 0.0 108.59 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 48.3 t -80.51 110.35 15.89 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -80.11 134.89 36.22 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.695 0.759 . . . . 0.0 109.783 -178.197 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.557 ' O ' HG23 ' B' ' 78' ' ' THR . 5.7 t -91.9 113.8 60.03 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.464 -0.773 . . . . 0.0 108.977 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -90.21 -48.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.599 1.533 . . . . 0.0 113.863 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.39 -43.65 2.29 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -47.89 83.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.251 -1.531 . . . . 0.0 112.569 -175.686 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.4 t30 -70.31 -44.79 67.55 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.02 -1.675 . . . . 0.0 110.163 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.465 ' ND2' ' NE2' ' B' ' 87' ' ' GLN . 2.0 t-20 -60.25 -49.93 75.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.154 -0.966 . . . . 0.0 110.82 -178.893 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.86 -41.92 95.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.875 -1.141 . . . . 0.0 110.043 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -70.1 -40.01 75.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.163 -0.96 . . . . 0.0 109.656 179.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.447 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 40.2 t-105 -68.37 -39.99 81.58 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.01 -1.056 . . . . 0.0 109.341 -179.406 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . 0.465 ' NE2' ' ND2' ' B' ' 83' ' ' ASN . 45.1 mt-30 -60.02 -41.09 91.45 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.81 -1.181 . . . . 0.0 108.425 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.38 -42.66 96.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.447 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 55.8 t90 -59.98 -50.07 75.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.122 179.025 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 -41.67 98.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.342 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -60.23 -42.81 95.99 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.274 -0.891 . . . . 0.0 110.518 -179.698 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -60.03 -42.77 95.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.061 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.328 -0.857 . . . . 0.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.1 -48.46 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.311 -0.868 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -60.58 -47.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.104 -0.997 . . . . 0.0 109.776 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.88 -42.27 98.86 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.139 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.352 -0.843 . . . . 0.0 109.545 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.68 -41.41 96.08 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 110.067 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 47.2 t-20 -66.23 -40.0 89.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.195 -0.94 . . . . 0.0 109.708 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.32 -40.0 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.06 -1.025 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -61.01 -41.14 95.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 0.0 109.483 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.98 75.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.393 -0.817 . . . . 0.0 109.852 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.441 HD11 ' HE ' ' A' ' 23' ' ' ARG . 82.8 mt -62.1 -42.5 99.28 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.016 -1.052 . . . . 0.0 108.914 -179.533 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.962 . . . . 0.0 108.886 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -48.77 80.34 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.3 -0.875 . . . . 0.0 109.061 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.7 -40.84 93.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 0.0 109.479 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.3 98.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.95 -47.88 83.98 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.99 -50.06 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.137 -0.977 . . . . 0.0 109.345 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.29 -40.01 96.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.527 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -59.94 -49.04 79.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.797 . . . . 0.0 109.605 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.51 -40.05 94.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.96 -40.04 94.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -0.999 . . . . 0.0 109.868 179.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.44 -43.83 98.19 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.219 -0.926 . . . . 0.0 109.155 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -41.52 98.52 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.96 -44.76 94.22 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.085 -1.009 . . . . 0.0 109.134 179.429 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.06 -39.34 85.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.434 -0.791 . . . . 0.0 109.184 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.96 -42.5 94.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.46 -0.775 . . . . 0.0 109.237 -179.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.7 mt-30 -62.35 -40.01 95.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.098 -1.001 . . . . 0.0 109.584 179.541 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -60.05 -34.24 73.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.644 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 91.1 mt -56.77 -48.34 78.08 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -144.52 65.91 1.27 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.999 -1.063 . . . . 0.0 110.056 179.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 p . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.935 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -70.14 144.36 52.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.387 -0.821 . . . . 0.0 109.079 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -89.8 58.71 4.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 109.394 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -62.92 -39.97 96.18 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.474 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.4 t -60.06 -41.08 91.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.453 -0.779 . . . . 0.0 109.699 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.474 ' N ' HG23 ' C' ' 5' ' ' THR . 58.2 tp -60.03 -45.77 91.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.921 -1.112 . . . . 0.0 108.093 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.36 -40.04 92.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.598 -0.688 . . . . 0.0 109.286 178.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.16 88.14 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.81 -47.29 61.8 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 178.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -47.4 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.305 -1.115 . . . . 0.0 109.209 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.06 -47.54 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 108.956 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.46 -40.02 89.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 0.0 109.888 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.97 -40.81 90.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.97 -1.081 . . . . 0.0 109.247 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.53 -40.21 90.68 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.024 -1.047 . . . . 0.0 109.177 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -44.12 94.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.33 -0.856 . . . . 0.0 108.954 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.61 -42.74 97.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.205 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.46 -42.05 99.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.0 109.118 179.293 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.97 -43.73 94.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.172 179.298 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.02 -47.94 83.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.316 -0.865 . . . . 0.0 110.185 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.06 -40.07 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.002 -1.061 . . . . 0.0 109.457 -179.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.93 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.159 -0.963 . . . . 0.0 108.999 179.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.07 -41.58 92.68 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.389 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.464 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 51.7 mtt-85 -60.9 -39.94 91.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.59 -0.693 . . . . 0.0 109.671 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.17 -39.97 88.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.874 . . . . 0.0 109.349 179.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.93 -49.87 75.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.975 . . . . 0.0 108.924 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.71 -42.34 97.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.196 -0.94 . . . . 0.0 108.936 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.426 HD23 HD13 ' A' ' 28' ' ' LEU . 23.9 tp -61.22 -41.67 97.26 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.345 -0.847 . . . . 0.0 109.085 179.543 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.31 -40.27 89.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.576 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.05 -40.12 88.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.091 -1.006 . . . . 0.0 109.091 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -61.62 -41.87 98.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.562 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -63.0 -40.03 96.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.0 109.453 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.51 -40.05 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -59.87 -41.17 90.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.704 . . . . 0.0 110.276 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.4 86.27 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.01 -49.92 75.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.23 -1.159 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 110.227 179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.442 HD21 HH21 ' C' ' 41' ' ' ARG . 47.7 t-20 -59.96 -40.07 87.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.124 -0.985 . . . . 0.0 109.106 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.92 -40.1 91.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.075 -1.016 . . . . 0.0 109.63 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -59.95 -40.84 90.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.115 -0.991 . . . . 0.0 109.9 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 68.5 p -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 39.8 mtt-85 -67.85 -38.99 83.85 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -42.11 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.065 -1.022 . . . . 0.0 108.615 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 82.7 p -60.07 -39.96 87.83 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.18 -0.95 . . . . 0.0 108.83 179.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.04 97.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.358 -1.464 . . . . 0.0 108.648 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.45 -40.0 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.52 -0.737 . . . . 0.0 110.274 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.99 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.847 -1.158 . . . . 0.0 109.501 -179.169 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.25 -40.11 96.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.737 -1.227 . . . . 0.0 109.667 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 58.7 m-85 -69.09 -39.98 78.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.58 -1.325 . . . . 0.0 108.786 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.96 -39.99 91.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.942 -1.099 . . . . 0.0 108.686 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -39.38 85.58 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.725 HE22 HD21 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.5 -40.0 85.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 -179.775 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.84 77.12 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.744 -1.222 . . . . 0.0 108.265 179.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.386 -0.821 . . . . 0.0 109.003 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 73.5 mt -69.89 114.88 8.49 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -133.5 -59.13 0.87 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.835 -179.097 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.705 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.03 116.99 4.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.114 -0.991 . . . . 0.0 110.375 -178.465 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.732 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 83.7 m95 -102.32 124.98 48.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.299 -0.875 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.54 24.86 71.23 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.51 178.602 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.89 23.06 0.14 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.731 -1.453 . . . . 0.0 108.933 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.43 115.55 2.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.057 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.437 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 33.5 m-85 -117.36 11.84 14.09 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.35 -0.844 . . . . 0.0 110.805 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -138.81 25.32 2.57 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 177.346 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -142.83 153.35 43.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.17 57.57 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.09 -1.006 . . . . 0.0 108.519 179.063 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.26 157.4 41.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.342 -0.849 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -130.01 134.17 47.24 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.565 ' O ' HG23 ' C' ' 68' ' ' THR . 8.7 t -88.88 113.96 24.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.683 -1.261 . . . . 0.0 109.334 -178.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.524 ' O ' HG23 ' C' ' 69' ' ' THR . 8.9 t -113.55 122.72 48.1 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 96.9 t -129.03 81.73 70.2 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.349 -0.844 . . . . 0.0 109.69 -178.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -85.6 61.65 5.41 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.781 2.321 . . . . 0.0 111.709 179.585 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -70.46 130.31 89.27 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.567 -0.708 . . . . 0.0 109.549 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -40.79 148.67 0.19 Allowed 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.325 1.35 . . . . 0.0 110.753 179.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.742 HD21 HE22 ' B' ' 52' ' ' GLN . 6.7 t-20 -127.48 -48.34 1.42 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.386 -0.821 . . . . 0.0 109.788 -179.11 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.58 35.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.891 . . . . 0.0 108.839 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -80.29 110.01 15.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 mt -79.66 134.92 36.44 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.671 0.748 . . . . 0.0 109.76 -178.323 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.543 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -92.11 113.92 60.56 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.21 -48.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 121.53 1.487 . . . . 0.0 114.002 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -122.17 -43.67 2.31 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -177.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.91 -48.2 82.67 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.353 -1.467 . . . . 0.0 112.592 -175.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.5 t30 -70.06 -44.98 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.98 -1.7 . . . . 0.0 110.18 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . 0.467 ' ND2' ' NE2' ' C' ' 87' ' ' GLN . 2.0 t-20 -60.03 -50.01 75.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.205 -0.935 . . . . 0.0 110.571 -178.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -64.88 -41.76 95.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.805 -1.184 . . . . 0.0 110.129 -179.178 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 42.4 p -70.17 -40.05 74.92 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.189 -0.945 . . . . 0.0 109.537 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.442 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 40.0 t-105 -68.33 -40.04 81.76 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.42 -179.298 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . 0.467 ' NE2' ' ND2' ' C' ' 83' ' ' ASN . 45.1 mt-30 -60.0 -41.24 91.66 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.702 -1.248 . . . . 0.0 108.38 179.258 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.465 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.0 t90 -59.94 -50.05 75.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.465 -0.772 . . . . 0.0 109.089 179.064 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.43 -41.34 98.64 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.344 -0.848 . . . . 0.0 109.271 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -60.69 -42.84 97.94 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 110.444 -179.706 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -59.97 -42.5 94.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.554 -1.341 . . . . 0.0 109.043 179.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.8 -41.28 90.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.276 -0.89 . . . . 0.0 108.835 179.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.95 -48.2 82.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.344 -0.848 . . . . 0.0 109.871 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -60.59 -47.34 86.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.962 -1.086 . . . . 0.0 109.715 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.44 -42.53 98.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.187 -0.945 . . . . 0.0 109.243 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 -46.25 90.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 0.0 109.615 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -41.73 95.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.942 -179.167 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.486 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 47.0 t-20 -66.13 -39.92 90.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 0.0 109.641 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.3 -40.13 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.014 -1.054 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -60.99 -41.24 96.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.457 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.02 75.33 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.285 -0.885 . . . . 0.0 109.941 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.426 HD11 ' HE ' ' B' ' 23' ' ' ARG . 82.5 mt -62.02 -42.35 99.07 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.026 -1.046 . . . . 0.0 108.92 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.0 -49.92 75.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.023 179.278 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.97 -48.69 80.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.001 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.69 -41.13 94.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.292 -0.88 . . . . 0.0 109.386 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.258 -0.901 . . . . 0.0 109.659 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.03 -47.82 84.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.156 -0.965 . . . . 0.0 109.187 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.13 -49.98 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.0 109.367 179.192 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -60.02 -48.99 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.412 -0.805 . . . . 0.0 109.599 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.64 -40.0 94.69 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -61.99 -40.29 95.11 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.988 -1.07 . . . . 0.0 109.865 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.22 -43.63 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.196 -0.94 . . . . 0.0 109.347 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.6 -41.54 98.32 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.24 -0.912 . . . . 0.0 109.552 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.91 -44.92 94.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.133 -0.98 . . . . 0.0 109.228 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -39.18 84.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.144 179.1 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.95 -42.42 94.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.579 -0.7 . . . . 0.0 109.236 -179.087 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.1 -1.0 . . . . 0.0 109.487 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -59.99 -33.86 72.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.249 -0.907 . . . . 0.0 109.763 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.08 -48.17 79.23 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.878 -1.139 . . . . 0.0 108.359 179.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -144.73 66.35 1.26 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.025 -1.047 . . . . 0.0 109.998 179.147 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.976 -1.012 . . . . 0.0 108.852 179.207 . . . . . . . . 0 0 . 1 stop_ save_