data_2l5b_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 2l5b _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 18.3 Cg_exo -53.98 -43.71 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.113 1.209 . . . . 0.0 111.931 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 p-90 -70.3 -32.06 69.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.46 -1.4 . . . . 0.0 108.469 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.9 tp -70.73 -50.99 30.29 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 m -56.13 -40.85 74.42 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.24 69.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.27 -54.62 7.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.292 -0.88 . . . . 0.0 109.898 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.6 -46.09 80.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 0.0 109.375 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.7 t -54.49 -30.49 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.02 68.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.91 -51.06 17.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.165 -0.959 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.88 -51.62 67.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.896 . . . . 0.0 108.978 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.39 59.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.894 -1.129 . . . . 0.0 109.994 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.85 -49.1 66.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.092 -1.005 . . . . 0.0 109.797 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -68.32 -53.57 23.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.184 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.36 -32.81 51.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.942 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.39 -24.08 64.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.955 . . . . 0.0 108.502 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.72 95.45 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.607 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.8 mtm180 -68.53 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -1.076 . . . . 0.0 109.599 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.654 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 58.09 39.71 25.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.633 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.14 16.58 1.72 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.309 -0.87 . . . . 0.0 109.254 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.547 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.184 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.83 -43.21 53.11 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.856 1.037 . . . . 0.0 111.553 -177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -70.55 -36.39 73.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.495 -1.378 . . . . 0.0 108.251 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.33 -50.48 53.11 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.53 -41.41 66.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.094 -1.004 . . . . 0.0 108.343 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.07 81.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.46 69.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.65 10.85 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.93 -45.24 74.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.109 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.48 -30.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.92 68.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 108.985 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -51.21 21.73 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 109.386 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.55 -51.51 68.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.927 . . . . 0.0 108.682 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.35 67.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.061 -1.024 . . . . 0.0 109.717 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.29 62.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 109.751 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.25 -53.68 40.63 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.55 -36.31 61.68 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.74 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.79 -24.05 65.5 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.62 -40.36 95.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.609 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.3 mtm180 -64.77 -113.01 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.29 -1.124 . . . . 0.0 109.471 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.641 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 57.88 39.34 26.88 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.645 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.61 17.06 1.65 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.437 -0.789 . . . . 0.0 109.325 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.533 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.521 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.6 Cg_exo -51.33 -45.44 37.22 Favored 'Trans proline' 0 C--N 1.321 -0.873 0 C-N-CA 121.05 1.167 . . . . 0.0 112.013 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -70.28 -35.29 73.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.491 -1.381 . . . . 0.0 108.349 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.53 -50.47 51.75 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -53.6 -42.02 67.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.048 -1.033 . . . . 0.0 108.357 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.64 85.2 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.68 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.322 -0.861 . . . . 0.0 109.496 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.49 8.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 0.0 109.927 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.77 -45.81 81.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.118 -0.989 . . . . 0.0 109.122 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.43 -30.36 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.29 68.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 108.981 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.75 -51.25 19.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.37 -51.24 70.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.247 -0.908 . . . . 0.0 108.576 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.77 72.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 109.661 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.75 54.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.974 . . . . 0.0 110.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -64.46 -53.59 45.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.895 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.68 -36.7 62.46 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.84 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.14 -24.05 64.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.083 -1.01 . . . . 0.0 108.433 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.01 -38.27 95.26 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.612 HH21 ' NH2' ' A' ' 29' ' ' ARG . 31.8 mtm180 -69.57 -117.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.426 -1.044 . . . . 0.0 109.517 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.668 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.2 42.0 4.22 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.598 0.714 . . . . 0.0 109.094 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 20.6 m-80 -141.99 15.69 2.1 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.03 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.2 Cg_exo -52.4 -43.59 53.13 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 120.991 1.128 . . . . 0.0 111.696 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.7 p-90 -70.55 -33.16 70.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.526 -1.359 . . . . 0.0 108.343 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.41 -50.34 39.5 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 109.163 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.43 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.062 -1.024 . . . . 0.0 108.325 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.91 79.71 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -29.29 66.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -54.64 8.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.32 -0.862 . . . . 0.0 110.157 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.71 -44.55 77.43 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.05 -1.031 . . . . 0.0 109.229 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -54.31 -30.41 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.69 68.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.033 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.81 -51.14 14.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.278 -0.888 . . . . 0.0 109.647 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.23 -51.01 70.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 108.976 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -48.62 65.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.609 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -66.69 -52.79 40.65 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.143 -0.973 . . . . 0.0 108.968 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.16 -29.44 31.47 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.133 0.492 . . . . 0.0 109.942 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.43 -23.9 64.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.081 -1.012 . . . . 0.0 108.668 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.48 88.98 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.583 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.9 mtm180 -61.45 -112.41 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 109.652 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.653 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 57.76 39.65 26.96 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.637 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.9 6.19 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.459 -0.775 . . . . 0.0 109.254 179.815 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.313 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.43 -45.48 37.21 Favored 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 120.874 1.049 . . . . 0.0 111.932 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -70.69 -37.05 73.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.42 -1.425 . . . . 0.0 108.459 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.03 -50.75 53.48 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.08 -42.13 65.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 108.37 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.13 86.8 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -29.57 68.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.65 8.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 110.191 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -67.08 -44.94 78.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 109.178 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -54.39 -30.33 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.645 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.66 67.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.205 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -51.23 18.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.18 -0.95 . . . . 0.0 109.482 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.56 -50.98 71.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 108.75 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.44 69.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.028 -1.045 . . . . 0.0 109.927 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.54 -53.17 24.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -61.47 -52.49 64.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 108.989 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tt -53.07 -29.29 29.36 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.784 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.09 -24.02 62.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.992 . . . . 0.0 108.752 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.01 87.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.592 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.0 mtm180 -63.33 -117.14 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -1.101 . . . . 0.0 109.486 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.668 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.1 mmp_? 64.05 37.71 9.0 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 9.5 m-80 -131.87 26.85 4.63 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.28 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.555 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 119.159 -0.448 . . . . 0.0 111.367 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 19.5 Cg_exo -53.68 -44.2 51.2 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.156 1.237 . . . . 0.0 111.882 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -70.53 -34.21 72.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.548 -1.345 . . . . 0.0 108.52 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.88 -50.48 41.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.524 -0.735 . . . . 0.0 109.603 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.003 -1.06 . . . . 0.0 108.414 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.13 84.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.61 -29.25 67.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -0.898 . . . . 0.0 109.398 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -54.72 12.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.1 -45.45 66.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.045 -1.034 . . . . 0.0 109.307 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.25 -30.63 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.83 68.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.006 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.03 34.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.217 -0.927 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.89 -51.08 59.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.261 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.96 65.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.087 -1.008 . . . . 0.0 109.868 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -51.9 51.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.109 -0.994 . . . . 0.0 109.612 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -63.26 -54.38 38.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.985 0.898 . . . . 0.0 109.01 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.67 -38.77 64.51 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.859 -0.526 . . . . 0.0 109.667 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.47 -23.98 63.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 0.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.71 -33.84 87.16 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 30.2 mtm180 -74.43 -116.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.242 -1.152 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.707 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.35 46.16 4.57 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.565 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 8.4 m-80 -147.76 5.51 0.79 Allowed 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 109.363 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.8 Cg_exo -54.07 -43.78 55.2 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.151 1.234 . . . . 0.0 111.991 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.21 -33.52 71.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.49 -1.381 . . . . 0.0 108.375 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -69.23 -50.63 45.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 m -55.64 -42.49 75.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.032 -1.043 . . . . 0.0 108.304 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.88 84.55 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.34 69.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.73 -54.72 12.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 110.084 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -68.93 -45.99 69.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.021 -1.049 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -54.61 -31.37 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 108.673 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.93 67.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.253 -0.905 . . . . 0.0 108.941 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.06 -51.08 23.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.01 -43.8 86.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.0 109.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.02 78.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.067 -1.02 . . . . 0.0 109.94 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -53.35 14.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.55 -50.56 73.07 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.187 0.994 . . . . 0.0 108.668 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.02 -29.2 28.11 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -26.13 66.38 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.8 96.81 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.621 HH21 ' NH2' ' A' ' 29' ' ' ARG . 30.8 mtm180 -65.75 -119.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -1.161 . . . . 0.0 109.714 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.671 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 65.32 40.92 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 18.9 m-80 -140.28 16.81 2.41 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.883 . . . . 0.0 109.352 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 119.014 -0.517 . . . . 0.0 111.223 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.6 -44.35 48.12 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.892 1.061 . . . . 0.0 111.671 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.61 -32.75 70.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.487 -1.383 . . . . 0.0 108.305 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 tp -71.47 -50.61 29.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.689 . . . . 0.0 109.2 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.26 -41.04 68.35 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.039 -1.038 . . . . 0.0 108.204 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.98 78.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.14 76.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.92 . . . . 0.0 109.758 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.61 7.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.361 -0.837 . . . . 0.0 109.884 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.84 -34.22 72.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.357 -0.839 . . . . 0.0 109.474 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.8 t -66.75 -31.18 52.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.45 67.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 109.102 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.02 -50.52 19.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.236 -0.915 . . . . 0.0 109.508 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.18 -47.05 84.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.177 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.17 -30.83 66.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.34 -52.88 22.94 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.408 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.3 -50.86 71.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 122.184 0.992 . . . . 0.0 108.479 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 tp -54.03 -23.51 13.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.952 . . . . 0.0 109.019 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.66 70.49 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.6 mtm180 -69.64 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 109.827 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.665 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.09 50.48 4.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.449 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.0 m-80 -147.42 24.3 1.12 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 109.267 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.549 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 119.108 -0.472 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.8 Cg_exo -52.72 -41.9 66.41 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.866 1.044 . . . . 0.0 111.569 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -70.62 -33.64 71.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.574 -1.329 . . . . 0.0 108.196 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.65 -50.45 36.65 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.18 -41.36 71.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.042 -1.036 . . . . 0.0 108.369 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.28 78.52 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.46 67.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 109.422 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -54.62 9.48 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.22 -44.74 75.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.023 -1.048 . . . . 0.0 109.261 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.21 -30.37 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.85 68.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -51.16 14.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.92 -51.57 68.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.36 -0.837 . . . . 0.0 108.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.48 65.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.082 -1.011 . . . . 0.0 109.988 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.32 23.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.159 -0.963 . . . . 0.0 109.828 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -59.85 -51.79 68.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 108.796 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.03 -29.17 28.11 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -24.79 63.44 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.48 85.38 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.8 mtm180 -62.89 -113.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -1.193 . . . . 0.0 109.956 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.707 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.13 47.8 4.01 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 7.7 m-80 -148.28 12.8 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 109.326 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.542 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.308 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.8 Cg_exo -53.23 -44.5 48.39 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.072 1.181 . . . . 0.0 111.951 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 7.2 p-90 -70.48 -38.38 74.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.46 -1.4 . . . . 0.0 108.443 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -66.64 -50.32 63.35 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.611 -0.68 . . . . 0.0 109.286 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.57 -39.87 68.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.046 -1.034 . . . . 0.0 108.365 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.71 78.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.63 67.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 109.337 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.84 -54.58 8.42 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.4 -0.812 . . . . 0.0 110.251 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.75 -44.35 81.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.983 -1.073 . . . . 0.0 109.19 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.36 -30.34 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -35.42 68.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 108.936 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.42 -51.4 13.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.77 -44.84 96.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 108.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.77 77.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 109.572 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -49.06 66.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -67.5 -53.04 32.13 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.191 -0.943 . . . . 0.0 108.941 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.55 -34.56 58.72 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.844 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.05 -23.96 64.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 108.557 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.63 90.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.538 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 31.2 mtm180 -69.03 -114.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.162 -1.199 . . . . 0.0 109.839 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.697 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.25 47.22 4.14 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 8.1 m-80 -148.04 3.56 0.71 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.236 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.568 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.205 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.4 Cg_exo -53.58 -44.79 46.0 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.937 1.092 . . . . 0.0 111.429 -177.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.3 p-90 -70.73 -32.49 69.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.61 -1.306 . . . . 0.0 108.397 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.67 -50.79 32.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.647 -0.658 . . . . 0.0 109.596 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 24.2 p -55.18 -41.23 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.905 -1.122 . . . . 0.0 108.241 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -68.37 -39.49 81.75 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.61 68.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.893 . . . . 0.0 109.733 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.24 -54.54 10.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.94 -45.64 73.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 109.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.43 -30.72 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.58 -37.14 68.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.168 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.49 -51.11 18.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.154 -0.966 . . . . 0.0 109.649 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.076 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.39 96.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.112 -0.993 . . . . 0.0 109.908 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.75 -52.84 61.65 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.156 -0.965 . . . . 0.0 109.913 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -62.17 -51.8 66.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.157 -0.965 . . . . 0.0 108.923 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 tt -53.34 -29.59 34.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.738 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.83 -24.03 65.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 108.8 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.51 86.31 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.521 HH21 ' NH2' ' A' ' 29' ' ' ARG . 35.7 mtm180 -61.47 -112.04 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.252 -1.146 . . . . 0.0 109.621 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.653 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 57.85 39.77 26.57 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.641 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -143.26 22.48 1.87 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.4 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.469 -0.769 . . . . 0.0 109.314 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.553 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.74 -42.64 61.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.002 1.134 . . . . 0.0 111.391 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -70.53 -33.82 71.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.631 -1.293 . . . . 0.0 108.252 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.15 -50.63 38.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.671 -0.643 . . . . 0.0 109.371 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.14 -42.92 73.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.045 . . . . 0.0 108.433 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.09 85.6 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.25 -29.37 67.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.509 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.78 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.346 -0.846 . . . . 0.0 110.145 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.12 -45.09 67.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.064 . . . . 0.0 109.393 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.36 -30.41 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.71 67.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.136 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.05 14.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.19 -0.944 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.96 -51.02 68.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 109.208 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.03 51.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.955 -1.09 . . . . 0.0 110.201 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.22 66.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.245 -0.909 . . . . 0.0 109.811 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.71 -53.81 29.54 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.233 -0.917 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.38 -34.11 56.36 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.86 -24.24 64.07 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.58 96.7 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.616 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.1 mtm180 -69.47 -114.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.338 -1.095 . . . . 0.0 109.512 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.661 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.8 mmp_? 57.81 16.01 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.747 0.784 . . . . 0.0 109.032 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.739 ' H ' HD21 ' A' ' 30' ' ' ASN . 0.4 OUTLIER -89.0 -19.11 26.09 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.684 -0.635 . . . . 0.0 109.511 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.511 ' H ' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.511 ' HD2' ' H ' ' A' ' 9' ' ' TRP . 10.3 Cg_exo -60.54 -36.31 86.53 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.396 -1.04 . . . . 0.0 109.396 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.9 p-90 -70.64 -35.01 72.69 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -70.08 -50.39 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.7 t -55.26 -41.1 71.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.975 -1.078 . . . . 0.0 108.344 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.79 77.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -29.31 67.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.7 -54.65 9.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.823 . . . . 0.0 110.181 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.52 -45.03 73.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.102 -0.999 . . . . 0.0 109.309 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -54.28 -30.26 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.68 68.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.0 109.026 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -51.11 14.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.7 -51.61 67.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 108.961 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.45 -33.22 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.971 -1.08 . . . . 0.0 110.026 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.82 -49.72 64.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.11 -0.994 . . . . 0.0 109.701 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -67.32 -53.78 26.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.084 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.23 -33.89 54.79 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.098 0.475 . . . . 0.0 109.863 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.98 -24.1 65.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 108.36 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.4 93.99 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.613 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.5 mtm180 -67.32 -116.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.383 -1.069 . . . . 0.0 109.613 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.664 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.42 42.45 3.82 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.634 0.731 . . . . 0.0 109.037 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 23.6 m-80 -144.38 2.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.9 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.422 -0.799 . . . . 0.0 109.239 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.259 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.6 Cg_exo -52.68 -44.16 49.88 Favored 'Trans proline' 0 C--N 1.322 -0.852 0 C-N-CA 120.892 1.061 . . . . 0.0 111.68 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 7.7 p-90 -70.94 -36.21 72.54 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.545 -1.347 . . . . 0.0 108.617 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 5.1 tt -69.64 -51.9 30.66 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -52.79 -41.52 64.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 108.568 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.29 77.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.41 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.265 -0.897 . . . . 0.0 109.418 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -54.61 9.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.166 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.62 -44.92 76.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.025 -1.047 . . . . 0.0 109.274 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.29 -30.31 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 108.619 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -36.03 68.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.085 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.3 -51.23 13.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 0.0 109.654 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -51.41 69.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 108.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.18 -35.22 59.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 110.06 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -53.26 33.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.968 . . . . 0.0 109.589 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.4 -52.02 67.41 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.278 -0.889 . . . . 0.0 108.892 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.03 -29.11 27.82 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.303 0.573 . . . . 0.0 109.515 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -24.23 63.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.41 -40.4 60.24 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' C ' HD21 ' A' ' 30' ' ' ASN . 40.4 mtm180 -57.55 -103.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.034 -1.274 . . . . 0.0 110.238 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.701 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 55.9 56.05 6.4 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.5 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.672 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -155.09 14.97 0.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 109.279 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.557 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.4 Cg_exo -54.5 -44.4 49.89 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 121.035 1.157 . . . . 0.0 111.898 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 -70.17 -32.77 70.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.456 -1.402 . . . . 0.0 108.459 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.83 -50.86 38.62 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -56.13 -40.25 73.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.033 . . . . 0.0 108.256 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.42 78.03 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.68 68.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 109.545 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.61 8.58 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -67.12 -44.6 79.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.107 -0.996 . . . . 0.0 109.29 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.22 -30.38 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 108.6 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -38.41 68.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.244 -0.91 . . . . 0.0 109.133 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.16 16.97 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.184 -0.948 . . . . 0.0 109.665 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.77 -51.57 69.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 108.855 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -30.91 33.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.247 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.2 62.36 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.059 -1.026 . . . . 0.0 109.796 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -69.9 -53.55 17.48 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.262 -0.899 . . . . 0.0 109.228 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.12 -30.51 37.03 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.894 -0.503 . . . . 0.0 109.948 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.7 -23.83 65.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.136 -0.977 . . . . 0.0 108.521 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.81 -39.31 85.81 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 33.1 mtm180 -63.1 -114.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 0.0 109.836 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.698 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 64.14 28.44 14.11 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 1.7 m-80 -115.61 -50.65 2.7 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.842 -0.536 . . . . 0.0 110.759 178.612 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.564 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.27 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.9 Cg_exo -52.94 -44.78 45.86 Favored 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 121.026 1.151 . . . . 0.0 111.896 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -70.55 -33.55 71.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.47 -1.394 . . . . 0.0 108.373 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.78 -50.57 41.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.668 -0.645 . . . . 0.0 109.39 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.1 p -55.07 -42.96 73.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.925 -1.11 . . . . 0.0 108.324 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -66.41 -39.44 88.98 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.95 -29.52 68.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -0.804 . . . . 0.0 109.719 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.35 -54.67 9.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 17' ' ' GLN . 2.0 mp0 -66.05 -48.27 71.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.03 -1.044 . . . . 0.0 108.662 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.89 -31.24 20.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.97 67.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.118 -0.989 . . . . 0.0 109.131 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.75 -51.4 14.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.142 -0.974 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.9 tp -61.07 -43.93 98.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 109.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.99 94.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 0.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.93 -53.68 50.38 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.68 -50.93 71.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.0 108.922 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.22 -29.08 30.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.333 0.587 . . . . 0.0 109.606 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -24.15 66.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.08 31.18 2.59 Favored Glycine 0 N--CA 1.496 2.668 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 28.4 mtm180 -134.89 -101.9 0.23 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.514 -0.992 . . . . 0.0 109.417 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.682 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 61.76 55.02 2.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.0 m-80 -151.09 21.8 0.76 Allowed 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.824 . . . . 0.0 109.386 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.19 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -51.9 -43.27 53.07 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.892 1.061 . . . . 0.0 111.617 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.5 p-90 -70.49 -38.83 74.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.502 -1.373 . . . . 0.0 108.17 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 41.8 tp -65.32 -50.23 66.44 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 51.4 t -53.15 -45.16 68.29 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.965 -1.084 . . . . 0.0 108.284 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.6 94.44 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -29.3 68.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.738 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -54.67 11.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.119 -0.988 . . . . 0.0 110.196 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 13' ' ' CYS . 16.2 mp0 -67.78 -47.07 70.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.847 -1.158 . . . . 0.0 108.743 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -53.96 -30.96 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.76 -36.09 67.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.0 108.911 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.37 -51.27 17.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.92 -48.75 80.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.302 -0.873 . . . . 0.0 108.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.07 82.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.756 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.13 39.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.1 -1.0 . . . . 0.0 109.876 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -61.75 -53.44 55.95 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.716 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.7 -39.7 65.41 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.74 -23.73 66.35 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.65 -35.46 80.74 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.538 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.4 mtm180 -61.83 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -1.209 . . . . 0.0 109.752 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.704 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.47 47.97 4.81 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.2 m-80 -145.98 23.89 1.35 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 109.361 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -52.02 -44.12 47.78 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.004 1.136 . . . . 0.0 111.715 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.57 -33.47 71.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.435 -1.415 . . . . 0.0 108.307 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 tp -70.39 -50.37 39.39 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.579 -0.7 . . . . 0.0 109.118 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.02 -41.15 70.99 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.058 -1.026 . . . . 0.0 108.359 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.11 78.58 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.34 -29.36 67.59 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.42 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.28 -54.6 9.08 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.193 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.28 -45.03 77.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.165 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.32 -30.84 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.18 67.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 108.9 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -51.34 19.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.294 -0.879 . . . . 0.0 109.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.16 -45.04 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 108.963 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.94 71.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.689 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.53 -49.94 42.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.088 -1.007 . . . . 0.0 109.985 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -66.67 -52.93 39.23 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.215 -0.928 . . . . 0.0 109.168 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.23 -35.57 60.1 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.788 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.04 -23.84 64.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 0.0 108.455 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -36.1 88.15 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.528 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 30.7 mtm180 -67.94 -114.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -1.168 . . . . 0.0 109.782 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.686 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.96 47.03 4.5 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 7.5 m-80 -147.39 2.38 0.74 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.457 -0.777 . . . . 0.0 109.252 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.582 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 119.148 -0.453 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.5 Cg_exo -53.9 -44.68 47.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 120.866 1.044 . . . . 0.0 111.451 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -70.78 -33.86 71.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.655 -1.278 . . . . 0.0 108.848 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.83 -52.14 22.29 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.57 -0.706 . . . . 0.0 109.569 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 23.2 p -54.18 -42.03 69.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.708 -1.245 . . . . 0.0 108.433 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.508 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.62 -39.1 84.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -29.33 66.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.85 -54.38 11.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.466 -0.771 . . . . 0.0 110.232 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -69.72 -45.49 68.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.053 -1.029 . . . . 0.0 109.212 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.22 -30.51 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.98 68.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.232 -0.917 . . . . 0.0 109.08 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.95 -51.15 14.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.728 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.71 -51.03 68.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.871 . . . . 0.0 109.295 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.43 63.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.985 -1.072 . . . . 0.0 110.083 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.7 65.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 109.8 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -66.51 -53.92 29.64 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.283 -0.886 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.4 -34.66 58.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.6 tp -60.45 -23.73 64.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.139 -0.975 . . . . 0.0 108.441 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.19 29.37 1.65 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.609 HH21 ' NH2' ' A' ' 29' ' ' ARG . 24.6 mtm180 -143.8 -114.24 0.1 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -1.044 . . . . 0.0 109.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.651 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 58.69 39.95 23.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.639 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -146.81 13.66 1.17 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.408 -0.808 . . . . 0.0 109.372 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.461 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 24.6 Cg_exo -50.31 -44.51 38.51 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.048 1.165 . . . . 0.0 111.702 -177.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -70.63 -35.24 72.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.581 -1.324 . . . . 0.0 108.511 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 tp -69.39 -50.72 43.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.692 -0.63 . . . . 0.0 109.635 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.7 p -54.37 -41.92 69.72 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 108.269 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.499 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.3 -41.09 85.97 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -29.72 68.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.294 -0.879 . . . . 0.0 109.636 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.87 -54.62 8.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 110.11 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.31 -44.99 81.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.127 -0.983 . . . . 0.0 109.243 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -54.43 -31.02 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.65 66.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 109.222 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.05 -39.63 60.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.357 -0.839 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.88 -44.29 49.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.158 -0.964 . . . . 0.0 108.617 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.94 88.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.155 -0.966 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.34 -53.36 53.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.075 -1.016 . . . . 0.0 109.741 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -51.3 70.35 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.239 -0.913 . . . . 0.0 108.845 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 tt -53.36 -29.38 34.01 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -24.29 67.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.39 -36.65 69.8 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 34.5 mtm180 -60.75 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.094 -1.239 . . . . 0.0 109.89 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.696 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.4 49.73 4.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.439 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.3 m-80 -147.73 21.83 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.392 -0.818 . . . . 0.0 109.244 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 4' ' ' ALA . 5.4 Cg_exo -62.43 -157.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.039 1.159 . . . . 0.0 109.506 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.64 -41.45 0.82 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -65.23 -179.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -1.149 . . . . 0.0 109.479 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 mt -135.35 71.88 66.24 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 121.598 -0.689 . . . . 0.0 109.179 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -62.33 136.26 58.66 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 120.8 1.0 . . . . 0.0 109.529 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -164.41 34.22 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 108.988 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 24.7 p90 -147.38 18.73 1.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.196 -0.94 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.14 -43.38 4.51 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.189 -0.944 . . . . 0.0 111.155 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 18.3 Cg_exo -53.98 -43.71 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.113 1.209 . . . . 0.0 111.931 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.5 p-90 -70.3 -32.06 69.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.46 -1.4 . . . . 0.0 108.469 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.9 tp -70.73 -50.99 30.29 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 m -56.13 -40.85 74.42 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.24 69.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.27 -54.62 7.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.292 -0.88 . . . . 0.0 109.898 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.6 -46.09 80.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 0.0 109.375 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.7 t -54.49 -30.49 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.02 68.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.91 -51.06 17.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.165 -0.959 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.88 -51.62 67.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.896 . . . . 0.0 108.978 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.39 59.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.894 -1.129 . . . . 0.0 109.994 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.85 -49.1 66.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.092 -1.005 . . . . 0.0 109.797 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -68.32 -53.57 23.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.184 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.36 -32.81 51.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.942 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.39 -24.08 64.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.955 . . . . 0.0 108.502 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.72 95.45 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.607 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.8 mtm180 -68.53 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -1.076 . . . . 0.0 109.599 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.654 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 58.09 39.71 25.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.633 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.14 16.58 1.72 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.61 40.12 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.309 -0.87 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . 0.442 ' HN1' ' C ' ' A' ' 30' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -54.23 4.06 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 N-CA-C 109.588 -0.966 . . . . 0.0 109.588 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.37 62.45 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.78 149.31 50.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.296 -1.12 . . . . 0.0 109.494 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -135.24 72.35 66.24 Favored Pre-proline 0 N--CA 1.504 2.235 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.32 118.07 4.95 Favored 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 120.788 0.992 . . . . 0.0 109.79 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 p -140.39 19.98 2.39 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -156.79 27.57 0.32 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.547 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.71 -43.65 1.55 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 111.184 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.83 -43.21 53.11 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.856 1.037 . . . . 0.0 111.553 -177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.3 p-90 -70.55 -36.39 73.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.495 -1.378 . . . . 0.0 108.251 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.33 -50.48 53.11 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.53 -41.41 66.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.094 -1.004 . . . . 0.0 108.343 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.07 81.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.46 69.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.65 10.85 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.93 -45.24 74.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.109 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.48 -30.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.92 68.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 108.985 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -51.21 21.73 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 109.386 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.55 -51.51 68.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.927 . . . . 0.0 108.682 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.35 67.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.061 -1.024 . . . . 0.0 109.717 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.29 62.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 109.751 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.25 -53.68 40.63 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.55 -36.31 61.68 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.74 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.79 -24.05 65.5 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.62 -40.36 95.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.609 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.3 mtm180 -64.77 -113.01 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.29 -1.124 . . . . 0.0 109.471 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.641 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 57.88 39.34 26.88 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.645 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.61 17.06 1.65 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.6 mt -70.62 152.15 44.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.437 -0.789 . . . . 0.0 109.325 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -62.78 -30.78 78.28 Favored 'Trans proline' 0 C--N 1.323 -0.776 0 C-N-CA 120.963 1.109 . . . . 0.0 109.475 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.98 44.42 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -75.92 0.07 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -1.168 . . . . 0.0 109.367 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.4 mt -85.39 147.83 48.05 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.122 -0.986 . . . . 0.0 108.469 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -59.98 176.55 0.69 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 N-CA-C 109.595 -0.964 . . . . 0.0 109.595 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.2 m -166.27 -43.01 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.401 -0.812 . . . . 0.0 109.324 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 12.5 p90 -94.39 17.71 12.48 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.414 -0.804 . . . . 0.0 109.103 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.533 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.2 -43.95 13.26 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 111.521 -179.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.6 Cg_exo -51.33 -45.44 37.22 Favored 'Trans proline' 0 C--N 1.321 -0.873 0 C-N-CA 121.05 1.167 . . . . 0.0 112.013 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.2 p-90 -70.28 -35.29 73.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.491 -1.381 . . . . 0.0 108.349 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.53 -50.47 51.75 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -53.6 -42.02 67.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.048 -1.033 . . . . 0.0 108.357 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.64 85.2 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.68 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.322 -0.861 . . . . 0.0 109.496 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.49 8.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 0.0 109.927 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.77 -45.81 81.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.118 -0.989 . . . . 0.0 109.122 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.43 -30.36 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.29 68.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 108.981 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.75 -51.25 19.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.37 -51.24 70.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.247 -0.908 . . . . 0.0 108.576 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.77 72.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 109.661 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.75 54.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.974 . . . . 0.0 110.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -64.46 -53.59 45.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.895 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.68 -36.7 62.46 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.84 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.14 -24.05 64.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.083 -1.01 . . . . 0.0 108.433 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.01 -38.27 95.26 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.612 HH21 ' NH2' ' A' ' 29' ' ' ARG . 31.8 mtm180 -69.57 -117.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.426 -1.044 . . . . 0.0 109.517 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.668 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.2 42.0 4.22 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.598 0.714 . . . . 0.0 109.094 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 20.6 m-80 -141.99 15.69 2.1 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.0 mt -71.88 100.81 2.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -62.42 -157.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 121.003 1.135 . . . . 0.0 109.58 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.61 -46.61 0.06 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.17 73.17 0.38 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.357 -1.084 . . . . 0.0 109.902 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.59 -43.38 50.95 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 110.627 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 4.5 Cg_exo -67.5 162.74 37.7 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 N-CA-C 109.665 -0.937 . . . . 0.0 109.665 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -164.35 31.79 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.244 -0.91 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 29.6 p90 -150.18 18.4 0.86 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.049 -1.032 . . . . 0.0 109.643 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -77.09 -43.09 2.72 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 120.997 -1.064 . . . . 0.0 111.03 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.2 Cg_exo -52.4 -43.59 53.13 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 120.991 1.128 . . . . 0.0 111.696 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.7 p-90 -70.55 -33.16 70.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.526 -1.359 . . . . 0.0 108.343 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.41 -50.34 39.5 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 109.163 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.43 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.062 -1.024 . . . . 0.0 108.325 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.91 79.71 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -29.29 66.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -54.64 8.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.32 -0.862 . . . . 0.0 110.157 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.71 -44.55 77.43 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.05 -1.031 . . . . 0.0 109.229 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -54.31 -30.41 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.69 68.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.033 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.81 -51.14 14.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.278 -0.888 . . . . 0.0 109.647 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.23 -51.01 70.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 108.976 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -48.62 65.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.609 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -66.69 -52.79 40.65 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.143 -0.973 . . . . 0.0 108.968 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.16 -29.44 31.47 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.133 0.492 . . . . 0.0 109.942 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.43 -23.9 64.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.081 -1.012 . . . . 0.0 108.668 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.48 88.98 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.583 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.9 mtm180 -61.45 -112.41 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 109.652 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.653 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 57.76 39.65 26.96 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.637 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.9 6.19 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.25 119.74 15.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.459 -0.775 . . . . 0.0 109.254 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.87 7.81 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 121.117 1.211 . . . . 0.0 109.865 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.64 53.64 0.29 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.96 -82.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.802 -0.822 . . . . 0.0 110.352 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 3' ' ' GLY . 40.5 mt -133.47 73.92 72.3 Favored Pre-proline 0 N--CA 1.505 2.316 0 O-C-N 121.287 -0.883 . . . . 0.0 109.292 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -60.81 103.53 0.23 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 120.954 1.103 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.7 m -107.54 -28.33 9.85 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.568 -0.708 . . . . 0.0 110.011 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 21.0 p90 -97.27 11.76 35.35 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.23 -43.52 12.85 Favored Pre-proline 0 C--N 1.298 -1.644 0 O-C-N 121.202 -0.936 . . . . 0.0 111.313 -179.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.43 -45.48 37.21 Favored 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 120.874 1.049 . . . . 0.0 111.932 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.1 p-90 -70.69 -37.05 73.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.42 -1.425 . . . . 0.0 108.459 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.03 -50.75 53.48 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.08 -42.13 65.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 108.37 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.13 86.8 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -29.57 68.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.65 8.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 110.191 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -67.08 -44.94 78.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 109.178 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -54.39 -30.33 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.645 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.66 67.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.205 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -51.23 18.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.18 -0.95 . . . . 0.0 109.482 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.56 -50.98 71.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 108.75 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.44 69.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.028 -1.045 . . . . 0.0 109.927 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.54 -53.17 24.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -61.47 -52.49 64.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 108.989 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tt -53.07 -29.29 29.36 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.784 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.09 -24.02 62.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.992 . . . . 0.0 108.752 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.01 87.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.592 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.0 mtm180 -63.33 -117.14 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -1.101 . . . . 0.0 109.486 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.668 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.1 mmp_? 64.05 37.71 9.0 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 9.5 m-80 -131.87 26.85 4.63 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.6 136.07 43.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.28 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.4 Cg_endo -63.36 0.13 1.98 Allowed 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.019 1.146 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . -75.14 22.52 1.54 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -76.98 -16.14 59.43 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.166 -1.196 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.8 mt 54.44 68.19 2.86 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.403 -0.811 . . . . 0.0 109.888 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.69 179.69 0.66 Allowed 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 120.986 1.124 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.9 m -165.6 -42.07 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.338 -0.851 . . . . 0.0 109.74 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.483 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 10.6 p90 -95.72 16.4 17.51 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.32 -0.863 . . . . 0.0 109.269 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.555 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.89 -43.52 10.97 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.154 -0.966 . . . . 0.0 111.367 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 19.5 Cg_exo -53.68 -44.2 51.2 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.156 1.237 . . . . 0.0 111.882 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 6.7 p-90 -70.53 -34.21 72.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.548 -1.345 . . . . 0.0 108.52 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.88 -50.48 41.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.524 -0.735 . . . . 0.0 109.603 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.003 -1.06 . . . . 0.0 108.414 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.13 84.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.61 -29.25 67.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -0.898 . . . . 0.0 109.398 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -54.72 12.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.1 -45.45 66.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.045 -1.034 . . . . 0.0 109.307 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.25 -30.63 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.83 68.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.006 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.03 34.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.217 -0.927 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.89 -51.08 59.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.261 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.96 65.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.087 -1.008 . . . . 0.0 109.868 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -51.9 51.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.109 -0.994 . . . . 0.0 109.612 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -63.26 -54.38 38.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.985 0.898 . . . . 0.0 109.01 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.67 -38.77 64.51 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.859 -0.526 . . . . 0.0 109.667 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.47 -23.98 63.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 0.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.71 -33.84 87.16 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 30.2 mtm180 -74.43 -116.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.242 -1.152 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.707 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.35 46.16 4.57 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.565 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 8.4 m-80 -147.76 5.51 0.79 Allowed 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.2 159.63 33.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.422 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -60.38 -153.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 121.049 1.166 . . . . 0.0 109.572 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.24 -70.28 1.74 Allowed Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.14 28.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.177 -1.19 . . . . 0.0 109.685 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp 52.66 70.1 2.03 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.321 -0.862 . . . . 0.0 109.064 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -60.4 162.69 16.8 Favored 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 120.938 1.092 . . . . 0.0 109.817 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.4 p -148.16 26.26 0.98 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.219 -0.926 . . . . 0.0 109.17 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.488 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 16.6 p90 -140.98 19.49 2.29 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.34 -43.47 5.7 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.832 . . . . 0.0 111.166 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.8 Cg_exo -54.07 -43.78 55.2 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.151 1.234 . . . . 0.0 111.991 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.488 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.21 -33.52 71.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.49 -1.381 . . . . 0.0 108.375 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -69.23 -50.63 45.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 m -55.64 -42.49 75.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.032 -1.043 . . . . 0.0 108.304 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.88 84.55 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.34 69.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.73 -54.72 12.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 110.084 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -68.93 -45.99 69.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.021 -1.049 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -54.61 -31.37 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 108.673 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.93 67.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.253 -0.905 . . . . 0.0 108.941 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.06 -51.08 23.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.01 -43.8 86.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.0 109.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.02 78.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.067 -1.02 . . . . 0.0 109.94 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -53.35 14.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.55 -50.56 73.07 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.187 0.994 . . . . 0.0 108.668 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.02 -29.2 28.11 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -26.13 66.38 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.8 96.81 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.621 HH21 ' NH2' ' A' ' 29' ' ' ARG . 30.8 mtm180 -65.75 -119.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -1.161 . . . . 0.0 109.714 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.671 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 65.32 40.92 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 18.9 m-80 -140.28 16.81 2.41 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.3 19.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.883 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . 0.465 ' HN1' ' C ' ' A' ' 30' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -63.31 -158.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 120.99 1.126 . . . . 0.0 109.435 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.16 -66.56 0.18 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.42 -43.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.259 -1.142 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.8 mt -136.11 70.49 62.71 Favored Pre-proline 0 N--CA 1.505 2.309 0 O-C-N 121.548 -0.72 . . . . 0.0 109.106 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.52 -175.45 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 120.866 1.044 . . . . 0.0 109.621 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -159.84 30.51 0.18 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.273 -0.892 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 25.6 p90 -150.27 19.75 0.85 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.215 -0.928 . . . . 0.0 109.317 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.41 -42.86 4.18 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.141 -0.974 . . . . 0.0 111.223 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.6 -44.35 48.12 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.892 1.061 . . . . 0.0 111.671 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.61 -32.75 70.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.487 -1.383 . . . . 0.0 108.305 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 tp -71.47 -50.61 29.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.689 . . . . 0.0 109.2 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.26 -41.04 68.35 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.039 -1.038 . . . . 0.0 108.204 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.98 78.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.14 76.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.92 . . . . 0.0 109.758 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.61 7.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.361 -0.837 . . . . 0.0 109.884 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.84 -34.22 72.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.357 -0.839 . . . . 0.0 109.474 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.8 t -66.75 -31.18 52.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.45 67.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 109.102 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.02 -50.52 19.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.236 -0.915 . . . . 0.0 109.508 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.18 -47.05 84.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.177 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.17 -30.83 66.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.34 -52.88 22.94 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.408 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.3 -50.86 71.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 122.184 0.992 . . . . 0.0 108.479 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 tp -54.03 -23.51 13.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.952 . . . . 0.0 109.019 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.66 70.49 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.6 mtm180 -69.64 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 109.827 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.665 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.09 50.48 4.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.449 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.0 m-80 -147.42 24.3 1.12 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.68 -11.36 60.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 109.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -62.45 -157.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.08 1.186 . . . . 0.0 109.436 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.72 10.6 38.75 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.55 76.68 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -1.121 . . . . 0.0 109.408 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.65 147.64 87.03 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.134 -0.979 . . . . 0.0 108.448 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -58.01 158.16 22.36 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 109.526 -0.99 . . . . 0.0 109.526 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.4 p -146.51 23.37 1.28 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.313 -0.867 . . . . 0.0 109.205 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -156.26 26.66 0.35 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.273 -0.892 . . . . 0.0 108.901 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -81.58 -44.04 1.1 Allowed Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.078 -1.014 . . . . 0.0 110.892 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.8 Cg_exo -52.72 -41.9 66.41 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.866 1.044 . . . . 0.0 111.569 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.3 p-90 -70.62 -33.64 71.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.574 -1.329 . . . . 0.0 108.196 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.65 -50.45 36.65 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.18 -41.36 71.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.042 -1.036 . . . . 0.0 108.369 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.28 78.52 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.46 67.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 109.422 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -54.62 9.48 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.22 -44.74 75.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.023 -1.048 . . . . 0.0 109.261 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.21 -30.37 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.85 68.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -51.16 14.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.92 -51.57 68.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.36 -0.837 . . . . 0.0 108.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.48 65.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.082 -1.011 . . . . 0.0 109.988 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.32 23.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.159 -0.963 . . . . 0.0 109.828 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -59.85 -51.79 68.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 108.796 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.03 -29.17 28.11 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -24.79 63.44 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.48 85.38 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.8 mtm180 -62.89 -113.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -1.193 . . . . 0.0 109.956 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.707 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.13 47.8 4.01 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 7.7 m-80 -148.28 12.8 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.06 -58.35 3.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -61.94 -24.86 77.4 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.92 1.08 . . . . 0.0 109.47 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.84 75.23 0.45 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.82 121.52 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.261 -1.14 . . . . 0.0 109.434 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt 52.78 69.42 2.36 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.942 . . . . 0.0 109.644 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -59.11 157.15 30.9 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 120.947 1.098 . . . . 0.0 109.672 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.1 m -128.2 -20.64 3.71 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.659 -0.65 . . . . 0.0 110.451 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 22.2 p90 -96.94 13.12 29.94 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.004 -1.06 . . . . 0.0 109.334 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.542 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -70.62 -43.78 16.19 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.201 -0.937 . . . . 0.0 111.308 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.8 Cg_exo -53.23 -44.5 48.39 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.072 1.181 . . . . 0.0 111.951 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.2 p-90 -70.48 -38.38 74.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.46 -1.4 . . . . 0.0 108.443 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -66.64 -50.32 63.35 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.611 -0.68 . . . . 0.0 109.286 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.57 -39.87 68.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.046 -1.034 . . . . 0.0 108.365 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.71 78.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.63 67.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 109.337 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.84 -54.58 8.42 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.4 -0.812 . . . . 0.0 110.251 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.75 -44.35 81.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.983 -1.073 . . . . 0.0 109.19 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.36 -30.34 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -35.42 68.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 108.936 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.42 -51.4 13.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.77 -44.84 96.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 108.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.77 77.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 109.572 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -49.06 66.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -67.5 -53.04 32.13 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.191 -0.943 . . . . 0.0 108.941 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.55 -34.56 58.72 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.844 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.05 -23.96 64.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 108.557 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.63 90.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.538 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 31.2 mtm180 -69.03 -114.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.162 -1.199 . . . . 0.0 109.839 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.697 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.25 47.22 4.14 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 8.1 m-80 -148.04 3.56 0.71 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.83 149.67 43.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.236 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -58.62 -159.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.669 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.65 -42.9 0.08 OUTLIER Glycine 0 N--CA 1.502 3.081 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.29 -11.09 59.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.17 -1.194 . . . . 0.0 109.253 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp 53.32 69.8 2.11 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.378 -0.826 . . . . 0.0 109.044 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.66 170.15 11.71 Favored 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 120.866 1.044 . . . . 0.0 109.429 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -147.32 23.61 1.16 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.287 -0.883 . . . . 0.0 109.416 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 14.3 p90 -161.98 20.99 0.11 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.151 -0.968 . . . . 0.0 109.946 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.568 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -77.88 -41.89 2.19 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.895 . . . . 0.0 111.205 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.4 Cg_exo -53.58 -44.79 46.0 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.937 1.092 . . . . 0.0 111.429 -177.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 10.3 p-90 -70.73 -32.49 69.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.61 -1.306 . . . . 0.0 108.397 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.67 -50.79 32.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.647 -0.658 . . . . 0.0 109.596 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 24.2 p -55.18 -41.23 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.905 -1.122 . . . . 0.0 108.241 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -68.37 -39.49 81.75 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.61 68.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.893 . . . . 0.0 109.733 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.24 -54.54 10.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.94 -45.64 73.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 109.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.43 -30.72 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.58 -37.14 68.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.168 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.49 -51.11 18.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.154 -0.966 . . . . 0.0 109.649 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.076 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.39 96.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.112 -0.993 . . . . 0.0 109.908 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.75 -52.84 61.65 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.156 -0.965 . . . . 0.0 109.913 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -62.17 -51.8 66.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.157 -0.965 . . . . 0.0 108.923 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 tt -53.34 -29.59 34.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.738 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.83 -24.03 65.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 108.8 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.51 86.31 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.521 HH21 ' NH2' ' A' ' 29' ' ' ARG . 35.7 mtm180 -61.47 -112.04 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.252 -1.146 . . . . 0.0 109.621 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.653 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 57.85 39.77 26.57 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.641 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -143.26 22.48 1.87 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.6 155.97 40.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.469 -0.769 . . . . 0.0 109.314 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.3 Cg_exo -62.55 -42.97 23.88 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.021 1.148 . . . . 0.0 109.6 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 5' ' ' LEU . . . 71.37 -9.46 4.36 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -67.52 2.7 1.64 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -1.157 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' A' ' 3' ' ' GLY . 51.2 mt -127.13 79.24 73.35 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -57.11 156.4 24.79 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 120.748 0.965 . . . . 0.0 109.908 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -146.47 24.95 1.23 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.384 -0.822 . . . . 0.0 109.071 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 1.2 p90 -149.97 26.13 0.81 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.553 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -80.35 -43.88 1.38 Allowed Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.176 -0.952 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.74 -42.64 61.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.002 1.134 . . . . 0.0 111.391 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.7 p-90 -70.53 -33.82 71.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.631 -1.293 . . . . 0.0 108.252 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.15 -50.63 38.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.671 -0.643 . . . . 0.0 109.371 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.14 -42.92 73.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.045 . . . . 0.0 108.433 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.09 85.6 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.25 -29.37 67.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.509 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.78 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.346 -0.846 . . . . 0.0 110.145 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.12 -45.09 67.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.064 . . . . 0.0 109.393 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.36 -30.41 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.71 67.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.136 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.05 14.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.19 -0.944 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.96 -51.02 68.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 109.208 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.03 51.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.955 -1.09 . . . . 0.0 110.201 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.22 66.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.245 -0.909 . . . . 0.0 109.811 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.71 -53.81 29.54 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.233 -0.917 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.38 -34.11 56.36 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.86 -24.24 64.07 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.58 96.7 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.616 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.1 mtm180 -69.47 -114.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.338 -1.095 . . . . 0.0 109.512 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.661 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.8 mmp_? 57.81 16.01 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.747 0.784 . . . . 0.0 109.032 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.739 ' H ' HD21 ' A' ' 30' ' ' ASN . 0.4 OUTLIER -89.0 -19.11 26.09 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.83 1.12 5.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.684 -0.635 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.469 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.2 Cg_endo -64.16 2.03 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 121.033 1.156 . . . . 0.0 109.634 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . 75.43 -18.05 2.99 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.472 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -64.65 -108.62 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.174 . . . . 0.0 109.168 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.6 mt 53.05 69.78 2.15 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.913 -1.117 . . . . 0.0 109.802 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.45 169.35 2.34 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.98 1.12 . . . . 0.0 109.652 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 p -90.42 -11.19 41.16 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.246 -0.909 . . . . 0.0 108.939 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 42.4 p90 -159.46 130.42 5.96 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.511 ' H ' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -170.59 -46.86 0.0 OUTLIER Pre-proline 0 C--N 1.292 -1.898 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.511 ' HD2' ' H ' ' A' ' 9' ' ' TRP . 10.3 Cg_exo -60.54 -36.31 86.53 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.396 -1.04 . . . . 0.0 109.396 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.9 p-90 -70.64 -35.01 72.69 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -70.08 -50.39 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.7 t -55.26 -41.1 71.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.975 -1.078 . . . . 0.0 108.344 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.79 77.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -29.31 67.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.7 -54.65 9.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.823 . . . . 0.0 110.181 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.52 -45.03 73.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.102 -0.999 . . . . 0.0 109.309 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -54.28 -30.26 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.68 68.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.0 109.026 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -51.11 14.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.7 -51.61 67.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 108.961 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.45 -33.22 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.971 -1.08 . . . . 0.0 110.026 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.82 -49.72 64.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.11 -0.994 . . . . 0.0 109.701 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -67.32 -53.78 26.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.084 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.23 -33.89 54.79 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.098 0.475 . . . . 0.0 109.863 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.98 -24.1 65.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 108.36 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.4 93.99 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.613 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.5 mtm180 -67.32 -116.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.383 -1.069 . . . . 0.0 109.613 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.664 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.42 42.45 3.82 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.634 0.731 . . . . 0.0 109.037 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 23.6 m-80 -144.38 2.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.73 142.64 51.43 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.422 -0.799 . . . . 0.0 109.239 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.69 -160.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.769 0 C-N-CA 121.035 1.157 . . . . 0.0 109.46 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.45 32.13 0.23 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.93 0.26 43.68 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.42 -1.047 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.23 -43.73 56.08 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.253 -0.904 . . . . 0.0 110.716 -179.745 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 6.1 Cg_exo -66.4 -178.86 1.28 Allowed 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 109.68 -0.931 . . . . 0.0 109.68 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -168.87 32.76 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 109.731 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 27.5 p90 -147.58 18.08 1.16 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.128 -0.982 . . . . 0.0 109.318 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.4 -42.92 4.2 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.146 -0.971 . . . . 0.0 111.259 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.6 Cg_exo -52.68 -44.16 49.88 Favored 'Trans proline' 0 C--N 1.322 -0.852 0 C-N-CA 120.892 1.061 . . . . 0.0 111.68 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.7 p-90 -70.94 -36.21 72.54 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.545 -1.347 . . . . 0.0 108.617 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 5.1 tt -69.64 -51.9 30.66 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -52.79 -41.52 64.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 108.568 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.29 77.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.41 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.265 -0.897 . . . . 0.0 109.418 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -54.61 9.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.166 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.62 -44.92 76.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.025 -1.047 . . . . 0.0 109.274 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.29 -30.31 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 108.619 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -36.03 68.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.085 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.3 -51.23 13.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 0.0 109.654 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -51.41 69.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 108.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.18 -35.22 59.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 110.06 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -53.26 33.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.968 . . . . 0.0 109.589 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.4 -52.02 67.41 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.278 -0.889 . . . . 0.0 108.892 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.03 -29.11 27.82 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.303 0.573 . . . . 0.0 109.515 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -24.23 63.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.41 -40.4 60.24 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' C ' HD21 ' A' ' 30' ' ' ASN . 40.4 mtm180 -57.55 -103.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.034 -1.274 . . . . 0.0 110.238 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.701 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 55.9 56.05 6.4 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.5 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.672 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -155.09 14.97 0.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.1 mt -69.78 145.73 51.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 109.279 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 4' ' ' ALA . 2.1 Cg_endo -64.17 1.99 1.33 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.09 1.193 . . . . 0.0 109.648 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . -63.07 79.79 0.03 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . -158.9 -29.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.332 -1.099 . . . . 0.0 109.396 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt 52.7 69.64 2.26 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.52 150.01 87.16 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.901 1.068 . . . . 0.0 109.477 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 t -171.55 36.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.932 . . . . 0.0 109.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 13.8 p90 -144.16 17.0 1.73 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.188 -0.945 . . . . 0.0 109.394 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.557 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.71 -42.83 4.97 Favored Pre-proline 0 C--N 1.298 -1.647 0 O-C-N 121.453 -0.779 . . . . 0.0 111.101 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.4 Cg_exo -54.5 -44.4 49.89 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 121.035 1.157 . . . . 0.0 111.898 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.9 p-90 -70.17 -32.77 70.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.456 -1.402 . . . . 0.0 108.459 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.83 -50.86 38.62 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -56.13 -40.25 73.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.033 . . . . 0.0 108.256 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.42 78.03 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.68 68.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 109.545 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.61 8.58 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -67.12 -44.6 79.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.107 -0.996 . . . . 0.0 109.29 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.22 -30.38 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 108.6 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -38.41 68.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.244 -0.91 . . . . 0.0 109.133 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.16 16.97 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.184 -0.948 . . . . 0.0 109.665 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.77 -51.57 69.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 108.855 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -30.91 33.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.247 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.2 62.36 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.059 -1.026 . . . . 0.0 109.796 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -69.9 -53.55 17.48 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.262 -0.899 . . . . 0.0 109.228 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.12 -30.51 37.03 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.894 -0.503 . . . . 0.0 109.948 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.7 -23.83 65.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.136 -0.977 . . . . 0.0 108.521 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.81 -39.31 85.81 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 33.1 mtm180 -63.1 -114.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 0.0 109.836 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.698 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 64.14 28.44 14.11 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 1.7 m-80 -115.61 -50.65 2.7 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.7 mt 45.06 -152.97 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.842 -0.536 . . . . 0.0 110.759 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.92 -1.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -62.12 -156.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.025 1.15 . . . . 0.0 109.63 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.17 55.47 18.64 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.93 96.15 1.25 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -1.105 . . . . 0.0 109.585 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.9 mt -134.32 60.24 42.35 Favored Pre-proline 0 N--CA 1.504 2.25 0 O-C-N 121.678 -0.639 . . . . 0.0 109.42 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' ' OG1' ' A' ' 7' ' ' THR . 4.6 Cg_exo -51.2 -68.06 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 120.986 1.124 . . . . 0.0 110.735 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 6' ' ' PRO . 88.6 m -165.32 -70.85 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.764 -1.21 . . . . 0.0 110.925 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.477 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 21.5 p90 -96.9 16.44 19.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.095 -1.003 . . . . 0.0 109.992 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.564 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -73.39 -42.08 6.51 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 111.27 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.9 Cg_exo -52.94 -44.78 45.86 Favored 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 121.026 1.151 . . . . 0.0 111.896 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.1 p-90 -70.55 -33.55 71.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.47 -1.394 . . . . 0.0 108.373 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.78 -50.57 41.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.668 -0.645 . . . . 0.0 109.39 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.1 p -55.07 -42.96 73.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.925 -1.11 . . . . 0.0 108.324 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -66.41 -39.44 88.98 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.95 -29.52 68.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -0.804 . . . . 0.0 109.719 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.35 -54.67 9.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 17' ' ' GLN . 2.0 mp0 -66.05 -48.27 71.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.03 -1.044 . . . . 0.0 108.662 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.89 -31.24 20.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.97 67.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.118 -0.989 . . . . 0.0 109.131 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.75 -51.4 14.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.142 -0.974 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.9 tp -61.07 -43.93 98.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 109.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.99 94.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 0.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.93 -53.68 50.38 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.68 -50.93 71.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.0 108.922 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.22 -29.08 30.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.333 0.587 . . . . 0.0 109.606 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -24.15 66.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.08 31.18 2.59 Favored Glycine 0 N--CA 1.496 2.668 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 28.4 mtm180 -134.89 -101.9 0.23 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.514 -0.992 . . . . 0.0 109.417 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.682 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 61.76 55.02 2.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.0 m-80 -151.09 21.8 0.76 Allowed 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.78 -149.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.824 . . . . 0.0 109.386 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.824 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 4' ' ' ALA . 4.3 Cg_exo -62.08 -20.15 68.79 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 120.906 1.071 . . . . 0.0 109.603 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.92 41.44 0.86 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -170.39 97.53 0.26 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -1.168 . . . . 0.0 109.429 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.545 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.57 -43.37 51.16 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 110.551 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 3.9 Cg_exo -67.77 176.16 5.47 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 120.662 0.908 . . . . 0.0 109.759 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 t -167.05 34.96 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.297 -0.877 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -155.37 28.0 0.4 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.26 -0.9 . . . . 0.0 108.784 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.76 -43.32 1.53 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.223 -0.923 . . . . 0.0 111.19 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -51.9 -43.27 53.07 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.892 1.061 . . . . 0.0 111.617 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.5 p-90 -70.49 -38.83 74.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.502 -1.373 . . . . 0.0 108.17 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 41.8 tp -65.32 -50.23 66.44 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 51.4 t -53.15 -45.16 68.29 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.965 -1.084 . . . . 0.0 108.284 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.6 94.44 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -29.3 68.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.738 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -54.67 11.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.119 -0.988 . . . . 0.0 110.196 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 13' ' ' CYS . 16.2 mp0 -67.78 -47.07 70.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.847 -1.158 . . . . 0.0 108.743 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -53.96 -30.96 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.76 -36.09 67.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.0 108.911 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.37 -51.27 17.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.92 -48.75 80.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.302 -0.873 . . . . 0.0 108.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.07 82.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.756 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.13 39.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.1 -1.0 . . . . 0.0 109.876 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -61.75 -53.44 55.95 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.716 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.7 -39.7 65.41 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.74 -23.73 66.35 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.65 -35.46 80.74 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.538 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.4 mtm180 -61.83 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -1.209 . . . . 0.0 109.752 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.704 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.47 47.97 4.81 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.2 m-80 -145.98 23.89 1.35 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.11 61.36 0.6 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 109.361 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.515 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 1' ' ' ALA . 5.4 Cg_exo -65.77 -48.22 3.19 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 N-CA-C 109.525 -0.99 . . . . 0.0 109.525 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.32 -14.47 3.08 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -66.21 176.54 1.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.5 mt 60.8 147.67 0.08 OUTLIER Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -55.23 -179.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.541 0.844 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.3 p -145.71 21.22 1.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.368 -0.832 . . . . 0.0 109.482 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 26.3 p90 -144.2 17.07 1.72 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.275 -0.89 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.46 -43.49 4.23 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 111.007 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -52.02 -44.12 47.78 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.004 1.136 . . . . 0.0 111.715 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.57 -33.47 71.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.435 -1.415 . . . . 0.0 108.307 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 tp -70.39 -50.37 39.39 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.579 -0.7 . . . . 0.0 109.118 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.02 -41.15 70.99 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.058 -1.026 . . . . 0.0 108.359 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.11 78.58 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.34 -29.36 67.59 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.42 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.28 -54.6 9.08 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.193 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.28 -45.03 77.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.165 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.32 -30.84 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.18 67.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 108.9 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -51.34 19.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.294 -0.879 . . . . 0.0 109.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.16 -45.04 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 108.963 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.94 71.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.689 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.53 -49.94 42.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.088 -1.007 . . . . 0.0 109.985 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -66.67 -52.93 39.23 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.215 -0.928 . . . . 0.0 109.168 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.23 -35.57 60.1 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.788 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.04 -23.84 64.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 0.0 108.455 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -36.1 88.15 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.528 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 30.7 mtm180 -67.94 -114.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -1.168 . . . . 0.0 109.782 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.686 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.96 47.03 4.5 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 7.5 m-80 -147.39 2.38 0.74 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.05 126.05 29.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.457 -0.777 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 1' ' ' ALA . 6.0 Cg_exo -65.74 -158.2 0.04 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 N-CA-C 109.55 -0.981 . . . . 0.0 109.55 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.9 -60.08 0.07 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.91 163.5 19.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -1.164 . . . . 0.0 109.245 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.43 154.34 91.78 Favored Pre-proline 0 N--CA 1.495 1.787 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.56 152.65 53.86 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 N-CA-C 109.33 -1.065 . . . . 0.0 109.33 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -163.48 31.71 0.09 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.199 -0.938 . . . . 0.0 109.21 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 15.1 p90 -164.62 20.06 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.984 -1.072 . . . . 0.0 110.212 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.582 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -78.26 -41.25 1.95 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.306 -0.871 . . . . 0.0 111.124 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.5 Cg_exo -53.9 -44.68 47.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 120.866 1.044 . . . . 0.0 111.451 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.6 p-90 -70.78 -33.86 71.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.655 -1.278 . . . . 0.0 108.848 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.83 -52.14 22.29 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.57 -0.706 . . . . 0.0 109.569 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 23.2 p -54.18 -42.03 69.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.708 -1.245 . . . . 0.0 108.433 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.62 -39.1 84.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -29.33 66.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.85 -54.38 11.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.466 -0.771 . . . . 0.0 110.232 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -69.72 -45.49 68.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.053 -1.029 . . . . 0.0 109.212 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.22 -30.51 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.98 68.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.232 -0.917 . . . . 0.0 109.08 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.95 -51.15 14.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.728 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.71 -51.03 68.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.871 . . . . 0.0 109.295 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.43 63.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.985 -1.072 . . . . 0.0 110.083 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.7 65.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 109.8 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -66.51 -53.92 29.64 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.283 -0.886 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.4 -34.66 58.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.6 tp -60.45 -23.73 64.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.139 -0.975 . . . . 0.0 108.441 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.19 29.37 1.65 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.609 HH21 ' NH2' ' A' ' 29' ' ' ARG . 24.6 mtm180 -143.8 -114.24 0.1 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -1.044 . . . . 0.0 109.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.651 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 58.69 39.95 23.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.639 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -146.81 13.66 1.17 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.0 mt -69.96 172.69 7.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.408 -0.808 . . . . 0.0 109.372 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.5 Cg_endo -63.07 -74.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.004 1.136 . . . . 0.0 109.476 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.94 -2.47 4.87 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -68.43 -47.81 66.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -1.126 . . . . 0.0 109.555 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' ALA . 8.7 mp 58.29 155.47 0.09 OUTLIER Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -59.36 154.19 48.74 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 N-CA-C 109.663 -0.937 . . . . 0.0 109.663 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -169.97 36.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.3 -0.875 . . . . 0.0 109.38 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -164.1 32.07 0.08 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.66 -43.65 1.57 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.153 -0.967 . . . . 0.0 111.461 -179.672 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 24.6 Cg_exo -50.31 -44.51 38.51 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.048 1.165 . . . . 0.0 111.702 -177.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.0 p-90 -70.63 -35.24 72.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.581 -1.324 . . . . 0.0 108.511 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 tp -69.39 -50.72 43.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.692 -0.63 . . . . 0.0 109.635 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.7 p -54.37 -41.92 69.72 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 108.269 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.3 -41.09 85.97 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -29.72 68.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.294 -0.879 . . . . 0.0 109.636 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.87 -54.62 8.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 110.11 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.31 -44.99 81.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.127 -0.983 . . . . 0.0 109.243 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -54.43 -31.02 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.65 66.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 109.222 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.05 -39.63 60.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.357 -0.839 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.88 -44.29 49.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.158 -0.964 . . . . 0.0 108.617 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.94 88.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.155 -0.966 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.34 -53.36 53.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.075 -1.016 . . . . 0.0 109.741 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -51.3 70.35 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.239 -0.913 . . . . 0.0 108.845 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 tt -53.36 -29.38 34.01 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -24.29 67.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.39 -36.65 69.8 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 34.5 mtm180 -60.75 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.094 -1.239 . . . . 0.0 109.89 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.696 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.4 49.73 4.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.439 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.3 m-80 -147.73 21.83 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.27 3.7 5.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.392 -0.818 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 18.3 Cg_exo -53.98 -43.71 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.113 1.209 . . . . 0.0 111.931 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 p-90 -70.3 -32.06 69.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.46 -1.4 . . . . 0.0 108.469 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.9 tp -70.73 -50.99 30.29 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 m -56.13 -40.85 74.42 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.24 69.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.27 -54.62 7.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.292 -0.88 . . . . 0.0 109.898 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -65.6 -46.09 80.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 0.0 109.375 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.7 t -54.49 -30.49 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.02 68.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.91 -51.06 17.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.165 -0.959 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.88 -51.62 67.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.896 . . . . 0.0 108.978 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.39 59.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.894 -1.129 . . . . 0.0 109.994 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.85 -49.1 66.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.092 -1.005 . . . . 0.0 109.797 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -68.32 -53.57 23.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.184 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.36 -32.81 51.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.942 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.39 -24.08 64.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.955 . . . . 0.0 108.502 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.72 95.45 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.623 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.8 mtm180 -68.53 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -1.076 . . . . 0.0 109.599 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.712 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 58.09 39.71 25.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -144.14 16.58 1.72 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.309 -0.87 . . . . 0.0 109.254 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.547 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.184 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.83 -43.21 53.11 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.856 1.037 . . . . 0.0 111.553 -177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -70.55 -36.39 73.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.495 -1.378 . . . . 0.0 108.251 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.33 -50.48 53.11 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.53 -41.41 66.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.094 -1.004 . . . . 0.0 108.343 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.07 81.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.46 69.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.65 10.85 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.93 -45.24 74.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.109 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.48 -30.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.92 68.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 108.985 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -51.21 21.73 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 109.386 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.55 -51.51 68.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.927 . . . . 0.0 108.682 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.35 67.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.061 -1.024 . . . . 0.0 109.717 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.29 62.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 109.751 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.25 -53.68 40.63 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.55 -36.31 61.68 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.74 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.79 -24.05 65.5 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.62 -40.36 95.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.625 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.3 mtm180 -64.77 -113.01 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.29 -1.124 . . . . 0.0 109.471 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.737 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 57.88 39.34 26.88 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -144.61 17.06 1.65 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.437 -0.789 . . . . 0.0 109.325 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.533 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.521 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.6 Cg_exo -51.33 -45.44 37.22 Favored 'Trans proline' 0 C--N 1.321 -0.873 0 C-N-CA 121.05 1.167 . . . . 0.0 112.013 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -70.28 -35.29 73.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.491 -1.381 . . . . 0.0 108.349 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.53 -50.47 51.75 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -53.6 -42.02 67.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.048 -1.033 . . . . 0.0 108.357 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.64 85.2 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.68 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.322 -0.861 . . . . 0.0 109.496 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.49 8.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 0.0 109.927 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.77 -45.81 81.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.118 -0.989 . . . . 0.0 109.122 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.43 -30.36 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.29 68.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 108.981 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.75 -51.25 19.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.37 -51.24 70.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.247 -0.908 . . . . 0.0 108.576 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.77 72.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 109.661 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.75 54.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.974 . . . . 0.0 110.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -64.46 -53.59 45.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.895 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.68 -36.7 62.46 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.84 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.14 -24.05 64.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.083 -1.01 . . . . 0.0 108.433 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.01 -38.27 95.26 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.627 HH21 ' NH2' ' A' ' 29' ' ' ARG . 31.8 mtm180 -69.57 -117.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.426 -1.044 . . . . 0.0 109.517 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.2 42.0 4.22 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.598 0.714 . . . . 0.0 109.094 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 20.6 m-80 -141.99 15.69 2.1 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.03 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.2 Cg_exo -52.4 -43.59 53.13 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 120.991 1.128 . . . . 0.0 111.696 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.7 p-90 -70.55 -33.16 70.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.526 -1.359 . . . . 0.0 108.343 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.41 -50.34 39.5 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 109.163 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.43 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.062 -1.024 . . . . 0.0 108.325 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.91 79.71 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -29.29 66.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -54.64 8.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.32 -0.862 . . . . 0.0 110.157 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.71 -44.55 77.43 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.05 -1.031 . . . . 0.0 109.229 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -54.31 -30.41 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.69 68.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.033 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.81 -51.14 14.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.278 -0.888 . . . . 0.0 109.647 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.23 -51.01 70.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 108.976 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -48.62 65.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.609 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -66.69 -52.79 40.65 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.143 -0.973 . . . . 0.0 108.968 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.16 -29.44 31.47 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.133 0.492 . . . . 0.0 109.942 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.43 -23.9 64.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.081 -1.012 . . . . 0.0 108.668 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.48 88.98 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.597 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.9 mtm180 -61.45 -112.41 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 109.652 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.719 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 57.76 39.65 26.96 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -144.9 6.19 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.459 -0.775 . . . . 0.0 109.254 179.815 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.313 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.43 -45.48 37.21 Favored 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 120.874 1.049 . . . . 0.0 111.932 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -70.69 -37.05 73.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.42 -1.425 . . . . 0.0 108.459 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.03 -50.75 53.48 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.08 -42.13 65.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 108.37 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.13 86.8 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -29.57 68.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.65 8.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 110.191 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -67.08 -44.94 78.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 109.178 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -54.39 -30.33 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.645 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.66 67.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.205 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -51.23 18.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.18 -0.95 . . . . 0.0 109.482 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.56 -50.98 71.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 108.75 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.44 69.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.028 -1.045 . . . . 0.0 109.927 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.54 -53.17 24.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -61.47 -52.49 64.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 108.989 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tt -53.07 -29.29 29.36 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.784 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.09 -24.02 62.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.992 . . . . 0.0 108.752 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.01 87.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.607 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.0 mtm180 -63.33 -117.14 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -1.101 . . . . 0.0 109.486 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.1 mmp_? 64.05 37.71 9.0 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 9.5 m-80 -131.87 26.85 4.63 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.28 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.555 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 119.159 -0.448 . . . . 0.0 111.367 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 19.5 Cg_exo -53.68 -44.2 51.2 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.156 1.237 . . . . 0.0 111.882 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -70.53 -34.21 72.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.548 -1.345 . . . . 0.0 108.52 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.88 -50.48 41.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.524 -0.735 . . . . 0.0 109.603 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.003 -1.06 . . . . 0.0 108.414 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.13 84.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.61 -29.25 67.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -0.898 . . . . 0.0 109.398 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -54.72 12.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.1 -45.45 66.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.045 -1.034 . . . . 0.0 109.307 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.25 -30.63 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.83 68.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.006 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.03 34.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.217 -0.927 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.89 -51.08 59.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.261 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.96 65.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.087 -1.008 . . . . 0.0 109.868 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -51.9 51.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.109 -0.994 . . . . 0.0 109.612 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -63.26 -54.38 38.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.985 0.898 . . . . 0.0 109.01 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.67 -38.77 64.51 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.859 -0.526 . . . . 0.0 109.667 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.47 -23.98 63.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 0.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.71 -33.84 87.16 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -74.43 -116.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.242 -1.152 . . . . 0.0 109.949 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.8 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.35 46.16 4.57 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.565 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -147.76 5.51 0.79 Allowed 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 109.363 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.8 Cg_exo -54.07 -43.78 55.2 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.151 1.234 . . . . 0.0 111.991 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.21 -33.52 71.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.49 -1.381 . . . . 0.0 108.375 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -69.23 -50.63 45.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 m -55.64 -42.49 75.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.032 -1.043 . . . . 0.0 108.304 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.88 84.55 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.34 69.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.73 -54.72 12.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 110.084 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -68.93 -45.99 69.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.021 -1.049 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -54.61 -31.37 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 108.673 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.93 67.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.253 -0.905 . . . . 0.0 108.941 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.06 -51.08 23.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.01 -43.8 86.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.0 109.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.02 78.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.067 -1.02 . . . . 0.0 109.94 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -53.35 14.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.55 -50.56 73.07 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.187 0.994 . . . . 0.0 108.668 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.02 -29.2 28.11 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -60.36 -26.13 66.38 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.8 96.81 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.636 HH21 ' NH2' ' A' ' 29' ' ' ARG . 30.8 mtm180 -65.75 -119.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -1.161 . . . . 0.0 109.714 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.688 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 65.32 40.92 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -140.28 16.81 2.41 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.883 . . . . 0.0 109.352 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 119.014 -0.517 . . . . 0.0 111.223 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.6 -44.35 48.12 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.892 1.061 . . . . 0.0 111.671 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.61 -32.75 70.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.487 -1.383 . . . . 0.0 108.305 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 tp -71.47 -50.61 29.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.689 . . . . 0.0 109.2 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.26 -41.04 68.35 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.039 -1.038 . . . . 0.0 108.204 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.98 78.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.14 76.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.92 . . . . 0.0 109.758 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.61 7.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.361 -0.837 . . . . 0.0 109.884 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.84 -34.22 72.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.357 -0.839 . . . . 0.0 109.474 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.8 t -66.75 -31.18 52.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.45 67.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 109.102 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.02 -50.52 19.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.236 -0.915 . . . . 0.0 109.508 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.18 -47.05 84.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.177 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.17 -30.83 66.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.34 -52.88 22.94 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.408 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.3 -50.86 71.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 122.184 0.992 . . . . 0.0 108.479 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 25' ' ' LEU . 4.9 tt -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 tp -54.03 -23.51 13.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.952 . . . . 0.0 109.019 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.66 70.49 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -69.64 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 109.827 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.756 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.09 50.48 4.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.449 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -147.42 24.3 1.12 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 109.267 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.549 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 119.108 -0.472 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.8 Cg_exo -52.72 -41.9 66.41 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.866 1.044 . . . . 0.0 111.569 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -70.62 -33.64 71.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.574 -1.329 . . . . 0.0 108.196 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.65 -50.45 36.65 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.18 -41.36 71.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.042 -1.036 . . . . 0.0 108.369 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.28 78.52 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.46 67.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 109.422 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -54.62 9.48 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.22 -44.74 75.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.023 -1.048 . . . . 0.0 109.261 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.21 -30.37 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.85 68.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -51.16 14.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.92 -51.57 68.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.36 -0.837 . . . . 0.0 108.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.48 65.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.082 -1.011 . . . . 0.0 109.988 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.32 23.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.159 -0.963 . . . . 0.0 109.828 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -59.85 -51.79 68.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 108.796 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.03 -29.17 28.11 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.21 -24.79 63.44 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.447 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.48 85.38 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -62.89 -113.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -1.193 . . . . 0.0 109.956 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.814 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.13 47.8 4.01 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -148.28 12.8 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 109.326 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.542 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.308 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.8 Cg_exo -53.23 -44.5 48.39 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.072 1.181 . . . . 0.0 111.951 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 7.2 p-90 -70.48 -38.38 74.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.46 -1.4 . . . . 0.0 108.443 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -66.64 -50.32 63.35 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.611 -0.68 . . . . 0.0 109.286 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.57 -39.87 68.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.046 -1.034 . . . . 0.0 108.365 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.71 78.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.63 67.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 109.337 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.84 -54.58 8.42 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.4 -0.812 . . . . 0.0 110.251 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.75 -44.35 81.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.983 -1.073 . . . . 0.0 109.19 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.36 -30.34 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -35.42 68.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 108.936 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.42 -51.4 13.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.77 -44.84 96.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 108.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.77 77.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 109.572 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -49.06 66.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -67.5 -53.04 32.13 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.191 -0.943 . . . . 0.0 108.941 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.55 -34.56 58.72 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.844 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.05 -23.96 64.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 108.557 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.63 90.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -69.03 -114.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.162 -1.199 . . . . 0.0 109.839 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.798 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.25 47.22 4.14 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.679 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.04 3.56 0.71 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.236 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.568 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.205 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.4 Cg_exo -53.58 -44.79 46.0 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.937 1.092 . . . . 0.0 111.429 -177.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.3 p-90 -70.73 -32.49 69.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.61 -1.306 . . . . 0.0 108.397 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.67 -50.79 32.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.647 -0.658 . . . . 0.0 109.596 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 24.2 p -55.18 -41.23 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.905 -1.122 . . . . 0.0 108.241 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -68.37 -39.49 81.75 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.61 68.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.893 . . . . 0.0 109.733 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.24 -54.54 10.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.94 -45.64 73.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 109.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.43 -30.72 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.58 -37.14 68.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.168 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.49 -51.11 18.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.154 -0.966 . . . . 0.0 109.649 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.076 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.39 96.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.112 -0.993 . . . . 0.0 109.908 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.75 -52.84 61.65 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.156 -0.965 . . . . 0.0 109.913 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -62.17 -51.8 66.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.157 -0.965 . . . . 0.0 108.923 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 tt -53.34 -29.59 34.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.738 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.83 -24.03 65.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 108.8 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.51 86.31 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.537 HH21 ' NH2' ' A' ' 29' ' ' ARG . 35.7 mtm180 -61.47 -112.04 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.252 -1.146 . . . . 0.0 109.621 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.725 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 57.85 39.77 26.57 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -143.26 22.48 1.87 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.4 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.469 -0.769 . . . . 0.0 109.314 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.553 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.74 -42.64 61.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.002 1.134 . . . . 0.0 111.391 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -70.53 -33.82 71.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.631 -1.293 . . . . 0.0 108.252 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.15 -50.63 38.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.671 -0.643 . . . . 0.0 109.371 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.14 -42.92 73.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.045 . . . . 0.0 108.433 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.09 85.6 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.25 -29.37 67.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.509 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.78 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.346 -0.846 . . . . 0.0 110.145 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.12 -45.09 67.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.064 . . . . 0.0 109.393 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.36 -30.41 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.71 67.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.136 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.05 14.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.19 -0.944 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.96 -51.02 68.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 109.208 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.03 51.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.955 -1.09 . . . . 0.0 110.201 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.22 66.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.245 -0.909 . . . . 0.0 109.811 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.71 -53.81 29.54 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.233 -0.917 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.38 -34.11 56.36 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.86 -24.24 64.07 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.58 96.7 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.633 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.1 mtm180 -69.47 -114.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.338 -1.095 . . . . 0.0 109.512 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.752 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.8 mmp_? 57.81 16.01 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.747 0.784 . . . . 0.0 109.032 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -89.0 -19.11 26.09 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.684 -0.635 . . . . 0.0 109.511 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.494 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 10.3 Cg_exo -60.54 -36.31 86.53 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.396 -1.04 . . . . 0.0 109.396 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.9 p-90 -70.64 -35.01 72.69 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -70.08 -50.39 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.7 t -55.26 -41.1 71.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.975 -1.078 . . . . 0.0 108.344 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.79 77.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -29.31 67.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.7 -54.65 9.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.823 . . . . 0.0 110.181 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.52 -45.03 73.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.102 -0.999 . . . . 0.0 109.309 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -54.28 -30.26 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.68 68.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.0 109.026 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -51.11 14.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.7 -51.61 67.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 108.961 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.45 -33.22 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.971 -1.08 . . . . 0.0 110.026 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.82 -49.72 64.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.11 -0.994 . . . . 0.0 109.701 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -67.32 -53.78 26.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.084 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.23 -33.89 54.79 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.098 0.475 . . . . 0.0 109.863 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.98 -24.1 65.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 108.36 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.4 93.99 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.63 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.5 mtm180 -67.32 -116.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.383 -1.069 . . . . 0.0 109.613 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.686 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.42 42.45 3.82 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.634 0.731 . . . . 0.0 109.037 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 23.6 m-80 -144.38 2.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.9 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.422 -0.799 . . . . 0.0 109.239 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.259 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.6 Cg_exo -52.68 -44.16 49.88 Favored 'Trans proline' 0 C--N 1.322 -0.852 0 C-N-CA 120.892 1.061 . . . . 0.0 111.68 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 7.7 p-90 -70.94 -36.21 72.54 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.545 -1.347 . . . . 0.0 108.617 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.1 tt -69.64 -51.9 30.66 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -52.79 -41.52 64.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 108.568 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.29 77.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.41 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.265 -0.897 . . . . 0.0 109.418 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -54.61 9.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.166 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.62 -44.92 76.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.025 -1.047 . . . . 0.0 109.274 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.29 -30.31 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 108.619 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -36.03 68.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.085 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.3 -51.23 13.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 0.0 109.654 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -51.41 69.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 108.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.18 -35.22 59.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 110.06 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -53.26 33.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.968 . . . . 0.0 109.589 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.4 -52.02 67.41 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.278 -0.889 . . . . 0.0 108.892 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.03 -29.11 27.82 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.303 0.573 . . . . 0.0 109.515 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.47 -24.23 63.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.41 -40.4 60.24 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -57.55 -103.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.034 -1.274 . . . . 0.0 110.238 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.79 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 55.9 56.05 6.4 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.5 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 14.0 p-10 -155.09 14.97 0.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 109.279 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.557 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.4 Cg_exo -54.5 -44.4 49.89 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 121.035 1.157 . . . . 0.0 111.898 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 -70.17 -32.77 70.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.456 -1.402 . . . . 0.0 108.459 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.83 -50.86 38.62 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -56.13 -40.25 73.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.033 . . . . 0.0 108.256 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.42 78.03 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.68 68.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 109.545 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.61 8.58 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -67.12 -44.6 79.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.107 -0.996 . . . . 0.0 109.29 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.22 -30.38 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 108.6 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -38.41 68.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.244 -0.91 . . . . 0.0 109.133 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.16 16.97 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.184 -0.948 . . . . 0.0 109.665 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.77 -51.57 69.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 108.855 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -30.91 33.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.247 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.2 62.36 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.059 -1.026 . . . . 0.0 109.796 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -69.9 -53.55 17.48 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.262 -0.899 . . . . 0.0 109.228 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.12 -30.51 37.03 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.894 -0.503 . . . . 0.0 109.948 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.7 -23.83 65.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.136 -0.977 . . . . 0.0 108.521 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.81 -39.31 85.81 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -63.1 -114.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 0.0 109.836 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.801 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 64.14 28.44 14.11 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -115.61 -50.65 2.7 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.842 -0.536 . . . . 0.0 110.759 178.612 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.564 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.27 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.9 Cg_exo -52.94 -44.78 45.86 Favored 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 121.026 1.151 . . . . 0.0 111.896 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -70.55 -33.55 71.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.47 -1.394 . . . . 0.0 108.373 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.78 -50.57 41.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.668 -0.645 . . . . 0.0 109.39 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.516 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 20.1 p -55.07 -42.96 73.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.925 -1.11 . . . . 0.0 108.324 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -66.41 -39.44 88.98 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.95 -29.52 68.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -0.804 . . . . 0.0 109.719 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.35 -54.67 9.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 13' ' ' CYS . 2.4 mp0 -66.05 -48.27 71.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.03 -1.044 . . . . 0.0 108.662 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.89 -31.24 20.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.97 67.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.118 -0.989 . . . . 0.0 109.131 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.75 -51.4 14.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.142 -0.974 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.9 tp -61.07 -43.93 98.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 109.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.99 94.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 0.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.93 -53.68 50.38 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.68 -50.93 71.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.0 108.922 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.22 -29.08 30.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.333 0.587 . . . . 0.0 109.606 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -61.84 -24.15 66.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.08 31.18 2.59 Favored Glycine 0 N--CA 1.496 2.668 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -134.89 -101.9 0.23 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.514 -0.992 . . . . 0.0 109.417 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.778 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 61.76 55.02 2.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -151.09 21.8 0.76 Allowed 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.824 . . . . 0.0 109.386 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.19 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -51.9 -43.27 53.07 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.892 1.061 . . . . 0.0 111.617 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.5 p-90 -70.49 -38.83 74.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.502 -1.373 . . . . 0.0 108.17 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 41.8 tp -65.32 -50.23 66.44 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 51.4 t -53.15 -45.16 68.29 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.965 -1.084 . . . . 0.0 108.284 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.6 94.44 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -29.3 68.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.738 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -54.67 11.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.119 -0.988 . . . . 0.0 110.196 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 13' ' ' CYS . 16.2 mp0 -67.78 -47.07 70.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.847 -1.158 . . . . 0.0 108.743 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -53.96 -30.96 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.76 -36.09 67.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.0 108.911 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.37 -51.27 17.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.92 -48.75 80.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.302 -0.873 . . . . 0.0 108.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.07 82.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.756 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.13 39.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.1 -1.0 . . . . 0.0 109.876 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -61.75 -53.44 55.95 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.716 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.7 -39.7 65.41 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.74 -23.73 66.35 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.65 -35.46 80.74 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -61.83 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -1.209 . . . . 0.0 109.752 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.807 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.47 47.97 4.81 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -145.98 23.89 1.35 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 109.361 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -52.02 -44.12 47.78 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.004 1.136 . . . . 0.0 111.715 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.57 -33.47 71.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.435 -1.415 . . . . 0.0 108.307 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 tp -70.39 -50.37 39.39 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.579 -0.7 . . . . 0.0 109.118 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.02 -41.15 70.99 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.058 -1.026 . . . . 0.0 108.359 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.11 78.58 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.34 -29.36 67.59 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.42 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.28 -54.6 9.08 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.193 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.28 -45.03 77.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.165 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.32 -30.84 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.18 67.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 108.9 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -51.34 19.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.294 -0.879 . . . . 0.0 109.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.16 -45.04 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 108.963 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.94 71.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.689 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.53 -49.94 42.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.088 -1.007 . . . . 0.0 109.985 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -66.67 -52.93 39.23 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.215 -0.928 . . . . 0.0 109.168 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.23 -35.57 60.1 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.788 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.04 -23.84 64.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 0.0 108.455 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -36.1 88.15 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -67.94 -114.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -1.168 . . . . 0.0 109.782 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.801 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.96 47.03 4.5 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.761 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -147.39 2.38 0.74 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.457 -0.777 . . . . 0.0 109.252 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.582 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 119.148 -0.453 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.5 Cg_exo -53.9 -44.68 47.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 120.866 1.044 . . . . 0.0 111.451 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -70.78 -33.86 71.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.655 -1.278 . . . . 0.0 108.848 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' C ' HD23 ' A' ' 12' ' ' LEU . 5.4 tt -70.83 -52.14 22.29 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.57 -0.706 . . . . 0.0 109.569 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 23.2 p -54.18 -42.03 69.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.708 -1.245 . . . . 0.0 108.433 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.508 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.62 -39.1 84.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -29.33 66.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.85 -54.38 11.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.466 -0.771 . . . . 0.0 110.232 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -69.72 -45.49 68.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.053 -1.029 . . . . 0.0 109.212 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.22 -30.51 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.98 68.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.232 -0.917 . . . . 0.0 109.08 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.95 -51.15 14.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.728 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.71 -51.03 68.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.871 . . . . 0.0 109.295 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.43 63.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.985 -1.072 . . . . 0.0 110.083 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.7 65.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 109.8 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -66.51 -53.92 29.64 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.283 -0.886 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.4 -34.66 58.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.6 tp -60.45 -23.73 64.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.139 -0.975 . . . . 0.0 108.441 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.19 29.37 1.65 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.626 HH21 ' NH2' ' A' ' 29' ' ' ARG . 24.6 mtm180 -143.8 -114.24 0.1 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -1.044 . . . . 0.0 109.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.723 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 58.69 39.95 23.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -146.81 13.66 1.17 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.408 -0.808 . . . . 0.0 109.372 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.461 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 24.6 Cg_exo -50.31 -44.51 38.51 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.048 1.165 . . . . 0.0 111.702 -177.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -70.63 -35.24 72.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.581 -1.324 . . . . 0.0 108.511 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 tp -69.39 -50.72 43.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.692 -0.63 . . . . 0.0 109.635 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.7 p -54.37 -41.92 69.72 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 108.269 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.499 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.3 -41.09 85.97 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -29.72 68.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.294 -0.879 . . . . 0.0 109.636 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.87 -54.62 8.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 110.11 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.31 -44.99 81.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.127 -0.983 . . . . 0.0 109.243 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -54.43 -31.02 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.65 66.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 109.222 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.05 -39.63 60.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.357 -0.839 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.88 -44.29 49.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.158 -0.964 . . . . 0.0 108.617 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.94 88.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.155 -0.966 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.34 -53.36 53.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.075 -1.016 . . . . 0.0 109.741 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -51.3 70.35 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.239 -0.913 . . . . 0.0 108.845 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 tt -53.36 -29.38 34.01 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -63.74 -24.29 67.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.39 -36.65 69.8 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -60.75 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.094 -1.239 . . . . 0.0 109.89 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.784 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.4 49.73 4.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.439 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -147.73 21.83 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.392 -0.818 . . . . 0.0 109.244 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' C ' ' H ' ' A' ' 4' ' ' ALA . 5.4 Cg_exo -62.43 -157.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.039 1.159 . . . . 0.0 109.506 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.64 -41.45 0.82 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -65.23 -179.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -1.149 . . . . 0.0 109.479 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 mt -135.35 71.88 66.24 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 121.598 -0.689 . . . . 0.0 109.179 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -62.33 136.26 58.66 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 120.8 1.0 . . . . 0.0 109.529 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -164.41 34.22 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 108.988 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 24.7 p90 -147.38 18.73 1.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.196 -0.94 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.14 -43.38 4.51 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.189 -0.944 . . . . 0.0 111.155 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 18.3 Cg_exo -53.98 -43.71 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.113 1.209 . . . . 0.0 111.931 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.5 p-90 -70.3 -32.06 69.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.46 -1.4 . . . . 0.0 108.469 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.9 tp -70.73 -50.99 30.29 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 m -56.13 -40.85 74.42 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.24 69.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.27 -54.62 7.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.292 -0.88 . . . . 0.0 109.898 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -65.6 -46.09 80.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 0.0 109.375 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.7 t -54.49 -30.49 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.02 68.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.91 -51.06 17.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.165 -0.959 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.88 -51.62 67.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.896 . . . . 0.0 108.978 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.39 59.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.894 -1.129 . . . . 0.0 109.994 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.85 -49.1 66.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.092 -1.005 . . . . 0.0 109.797 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -68.32 -53.57 23.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.184 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.36 -32.81 51.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.942 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.39 -24.08 64.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.955 . . . . 0.0 108.502 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.72 95.45 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.623 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.8 mtm180 -68.53 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -1.076 . . . . 0.0 109.599 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.712 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 58.09 39.71 25.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -144.14 16.58 1.72 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.61 40.12 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.309 -0.87 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -54.23 4.06 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 N-CA-C 109.588 -0.966 . . . . 0.0 109.588 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.37 62.45 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.78 149.31 50.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.296 -1.12 . . . . 0.0 109.494 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -135.24 72.35 66.24 Favored Pre-proline 0 N--CA 1.504 2.235 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.32 118.07 4.95 Favored 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 120.788 0.992 . . . . 0.0 109.79 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 p -140.39 19.98 2.39 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -156.79 27.57 0.32 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.547 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.71 -43.65 1.55 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 111.184 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.83 -43.21 53.11 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.856 1.037 . . . . 0.0 111.553 -177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.3 p-90 -70.55 -36.39 73.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.495 -1.378 . . . . 0.0 108.251 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.33 -50.48 53.11 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.53 -41.41 66.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.094 -1.004 . . . . 0.0 108.343 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.07 81.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.46 69.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.65 10.85 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.93 -45.24 74.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.109 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.48 -30.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.92 68.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 108.985 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -51.21 21.73 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 109.386 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.55 -51.51 68.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.927 . . . . 0.0 108.682 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.35 67.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.061 -1.024 . . . . 0.0 109.717 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.29 62.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 109.751 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.25 -53.68 40.63 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.55 -36.31 61.68 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.74 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.79 -24.05 65.5 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.62 -40.36 95.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.625 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.3 mtm180 -64.77 -113.01 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.29 -1.124 . . . . 0.0 109.471 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.737 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 57.88 39.34 26.88 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -144.61 17.06 1.65 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.6 mt -70.62 152.15 44.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.437 -0.789 . . . . 0.0 109.325 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -62.78 -30.78 78.28 Favored 'Trans proline' 0 C--N 1.323 -0.776 0 C-N-CA 120.963 1.109 . . . . 0.0 109.475 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.98 44.42 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -75.92 0.07 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -1.168 . . . . 0.0 109.367 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.4 mt -85.39 147.83 48.05 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.122 -0.986 . . . . 0.0 108.469 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -59.98 176.55 0.69 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 N-CA-C 109.595 -0.964 . . . . 0.0 109.595 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.2 m -166.27 -43.01 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.401 -0.812 . . . . 0.0 109.324 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 12.5 p90 -94.39 17.71 12.48 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.414 -0.804 . . . . 0.0 109.103 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.533 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.2 -43.95 13.26 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 111.521 -179.461 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.6 Cg_exo -51.33 -45.44 37.22 Favored 'Trans proline' 0 C--N 1.321 -0.873 0 C-N-CA 121.05 1.167 . . . . 0.0 112.013 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.2 p-90 -70.28 -35.29 73.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.491 -1.381 . . . . 0.0 108.349 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.53 -50.47 51.75 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -53.6 -42.02 67.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.048 -1.033 . . . . 0.0 108.357 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.64 85.2 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.68 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.322 -0.861 . . . . 0.0 109.496 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.49 8.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 0.0 109.927 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.77 -45.81 81.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.118 -0.989 . . . . 0.0 109.122 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.43 -30.36 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.29 68.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 108.981 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.75 -51.25 19.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.37 -51.24 70.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.247 -0.908 . . . . 0.0 108.576 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.77 72.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 109.661 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.75 54.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.974 . . . . 0.0 110.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -64.46 -53.59 45.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.895 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.68 -36.7 62.46 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.84 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.14 -24.05 64.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.083 -1.01 . . . . 0.0 108.433 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.01 -38.27 95.26 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.627 HH21 ' NH2' ' A' ' 29' ' ' ARG . 31.8 mtm180 -69.57 -117.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.426 -1.044 . . . . 0.0 109.517 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.2 42.0 4.22 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.598 0.714 . . . . 0.0 109.094 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 20.6 m-80 -141.99 15.69 2.1 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.0 mt -71.88 100.81 2.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -62.42 -157.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 121.003 1.135 . . . . 0.0 109.58 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.61 -46.61 0.06 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.17 73.17 0.38 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.357 -1.084 . . . . 0.0 109.902 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.59 -43.38 50.95 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 110.627 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 4.5 Cg_exo -67.5 162.74 37.7 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 N-CA-C 109.665 -0.937 . . . . 0.0 109.665 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -164.35 31.79 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.244 -0.91 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 29.6 p90 -150.18 18.4 0.86 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.049 -1.032 . . . . 0.0 109.643 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -77.09 -43.09 2.72 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 120.997 -1.064 . . . . 0.0 111.03 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.2 Cg_exo -52.4 -43.59 53.13 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 120.991 1.128 . . . . 0.0 111.696 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.7 p-90 -70.55 -33.16 70.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.526 -1.359 . . . . 0.0 108.343 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.41 -50.34 39.5 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 109.163 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.43 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.062 -1.024 . . . . 0.0 108.325 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.91 79.71 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -29.29 66.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -54.64 8.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.32 -0.862 . . . . 0.0 110.157 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.71 -44.55 77.43 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.05 -1.031 . . . . 0.0 109.229 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -54.31 -30.41 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.69 68.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.033 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.81 -51.14 14.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.278 -0.888 . . . . 0.0 109.647 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.23 -51.01 70.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 108.976 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -48.62 65.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.609 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -66.69 -52.79 40.65 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.143 -0.973 . . . . 0.0 108.968 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.16 -29.44 31.47 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.133 0.492 . . . . 0.0 109.942 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.43 -23.9 64.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.081 -1.012 . . . . 0.0 108.668 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.48 88.98 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.597 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.9 mtm180 -61.45 -112.41 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 109.652 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.719 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 57.76 39.65 26.96 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -144.9 6.19 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.25 119.74 15.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.459 -0.775 . . . . 0.0 109.254 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.87 7.81 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 121.117 1.211 . . . . 0.0 109.865 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.64 53.64 0.29 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.96 -82.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.802 -0.822 . . . . 0.0 110.352 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 3' ' ' GLY . 40.5 mt -133.47 73.92 72.3 Favored Pre-proline 0 N--CA 1.505 2.316 0 O-C-N 121.287 -0.883 . . . . 0.0 109.292 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -60.81 103.53 0.23 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 120.954 1.103 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.7 m -107.54 -28.33 9.85 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.568 -0.708 . . . . 0.0 110.011 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 21.0 p90 -97.27 11.76 35.35 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.23 -43.52 12.85 Favored Pre-proline 0 C--N 1.298 -1.644 0 O-C-N 121.202 -0.936 . . . . 0.0 111.313 -179.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.43 -45.48 37.21 Favored 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 120.874 1.049 . . . . 0.0 111.932 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.1 p-90 -70.69 -37.05 73.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.42 -1.425 . . . . 0.0 108.459 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.03 -50.75 53.48 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.08 -42.13 65.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 108.37 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.13 86.8 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -29.57 68.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.65 8.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 110.191 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -67.08 -44.94 78.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 109.178 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -54.39 -30.33 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.645 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.66 67.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.205 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -51.23 18.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.18 -0.95 . . . . 0.0 109.482 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.56 -50.98 71.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 108.75 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.44 69.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.028 -1.045 . . . . 0.0 109.927 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.54 -53.17 24.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -61.47 -52.49 64.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 108.989 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tt -53.07 -29.29 29.36 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.784 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.09 -24.02 62.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.992 . . . . 0.0 108.752 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.01 87.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.607 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.0 mtm180 -63.33 -117.14 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -1.101 . . . . 0.0 109.486 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.1 mmp_? 64.05 37.71 9.0 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 9.5 m-80 -131.87 26.85 4.63 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.6 136.07 43.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.28 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.4 Cg_endo -63.36 0.13 1.98 Allowed 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.019 1.146 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . -75.14 22.52 1.54 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -76.98 -16.14 59.43 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.166 -1.196 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.8 mt 54.44 68.19 2.86 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.403 -0.811 . . . . 0.0 109.888 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.69 179.69 0.66 Allowed 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 120.986 1.124 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.9 m -165.6 -42.07 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.338 -0.851 . . . . 0.0 109.74 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.483 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 10.6 p90 -95.72 16.4 17.51 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.32 -0.863 . . . . 0.0 109.269 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.555 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.89 -43.52 10.97 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.154 -0.966 . . . . 0.0 111.367 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 19.5 Cg_exo -53.68 -44.2 51.2 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.156 1.237 . . . . 0.0 111.882 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 6.7 p-90 -70.53 -34.21 72.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.548 -1.345 . . . . 0.0 108.52 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.88 -50.48 41.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.524 -0.735 . . . . 0.0 109.603 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.003 -1.06 . . . . 0.0 108.414 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.13 84.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.61 -29.25 67.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -0.898 . . . . 0.0 109.398 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -54.72 12.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.1 -45.45 66.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.045 -1.034 . . . . 0.0 109.307 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.25 -30.63 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.83 68.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.006 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.03 34.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.217 -0.927 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.89 -51.08 59.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.261 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.96 65.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.087 -1.008 . . . . 0.0 109.868 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -51.9 51.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.109 -0.994 . . . . 0.0 109.612 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -63.26 -54.38 38.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.985 0.898 . . . . 0.0 109.01 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.67 -38.77 64.51 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.859 -0.526 . . . . 0.0 109.667 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.47 -23.98 63.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 0.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.71 -33.84 87.16 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -74.43 -116.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.242 -1.152 . . . . 0.0 109.949 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.8 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.35 46.16 4.57 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.565 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -147.76 5.51 0.79 Allowed 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.2 159.63 33.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.422 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -60.38 -153.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 121.049 1.166 . . . . 0.0 109.572 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.24 -70.28 1.74 Allowed Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.14 28.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.177 -1.19 . . . . 0.0 109.685 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp 52.66 70.1 2.03 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.321 -0.862 . . . . 0.0 109.064 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -60.4 162.69 16.8 Favored 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 120.938 1.092 . . . . 0.0 109.817 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.4 p -148.16 26.26 0.98 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.219 -0.926 . . . . 0.0 109.17 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.488 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 16.6 p90 -140.98 19.49 2.29 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.34 -43.47 5.7 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.832 . . . . 0.0 111.166 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.8 Cg_exo -54.07 -43.78 55.2 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.151 1.234 . . . . 0.0 111.991 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.488 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.21 -33.52 71.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.49 -1.381 . . . . 0.0 108.375 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -69.23 -50.63 45.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 m -55.64 -42.49 75.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.032 -1.043 . . . . 0.0 108.304 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.88 84.55 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.34 69.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.73 -54.72 12.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 110.084 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -68.93 -45.99 69.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.021 -1.049 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -54.61 -31.37 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 108.673 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.93 67.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.253 -0.905 . . . . 0.0 108.941 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.06 -51.08 23.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.01 -43.8 86.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.0 109.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.02 78.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.067 -1.02 . . . . 0.0 109.94 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -53.35 14.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.55 -50.56 73.07 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.187 0.994 . . . . 0.0 108.668 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.02 -29.2 28.11 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -60.36 -26.13 66.38 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.8 96.81 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.636 HH21 ' NH2' ' A' ' 29' ' ' ARG . 30.8 mtm180 -65.75 -119.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -1.161 . . . . 0.0 109.714 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.688 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 65.32 40.92 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -140.28 16.81 2.41 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.3 19.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.883 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -63.31 -158.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 120.99 1.126 . . . . 0.0 109.435 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.16 -66.56 0.18 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.42 -43.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.259 -1.142 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.8 mt -136.11 70.49 62.71 Favored Pre-proline 0 N--CA 1.505 2.309 0 O-C-N 121.548 -0.72 . . . . 0.0 109.106 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.52 -175.45 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 120.866 1.044 . . . . 0.0 109.621 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -159.84 30.51 0.18 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.273 -0.892 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 25.6 p90 -150.27 19.75 0.85 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.215 -0.928 . . . . 0.0 109.317 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.41 -42.86 4.18 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.141 -0.974 . . . . 0.0 111.223 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.6 -44.35 48.12 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.892 1.061 . . . . 0.0 111.671 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.61 -32.75 70.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.487 -1.383 . . . . 0.0 108.305 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 tp -71.47 -50.61 29.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.689 . . . . 0.0 109.2 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.26 -41.04 68.35 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.039 -1.038 . . . . 0.0 108.204 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.98 78.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.14 76.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.92 . . . . 0.0 109.758 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.61 7.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.361 -0.837 . . . . 0.0 109.884 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.84 -34.22 72.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.357 -0.839 . . . . 0.0 109.474 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.8 t -66.75 -31.18 52.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.45 67.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 109.102 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.02 -50.52 19.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.236 -0.915 . . . . 0.0 109.508 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.18 -47.05 84.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.177 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.17 -30.83 66.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.34 -52.88 22.94 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.408 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.3 -50.86 71.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 122.184 0.992 . . . . 0.0 108.479 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 25' ' ' LEU . 4.9 tt -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 tp -54.03 -23.51 13.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.952 . . . . 0.0 109.019 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.66 70.49 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -69.64 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 109.827 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.756 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.09 50.48 4.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.449 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -147.42 24.3 1.12 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.68 -11.36 60.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 109.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -62.45 -157.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.08 1.186 . . . . 0.0 109.436 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.72 10.6 38.75 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.55 76.68 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -1.121 . . . . 0.0 109.408 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.65 147.64 87.03 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.134 -0.979 . . . . 0.0 108.448 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -58.01 158.16 22.36 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 109.526 -0.99 . . . . 0.0 109.526 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.4 p -146.51 23.37 1.28 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.313 -0.867 . . . . 0.0 109.205 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -156.26 26.66 0.35 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.273 -0.892 . . . . 0.0 108.901 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -81.58 -44.04 1.1 Allowed Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.078 -1.014 . . . . 0.0 110.892 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.8 Cg_exo -52.72 -41.9 66.41 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.866 1.044 . . . . 0.0 111.569 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.3 p-90 -70.62 -33.64 71.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.574 -1.329 . . . . 0.0 108.196 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.65 -50.45 36.65 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.18 -41.36 71.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.042 -1.036 . . . . 0.0 108.369 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.28 78.52 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.46 67.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 109.422 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -54.62 9.48 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.22 -44.74 75.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.023 -1.048 . . . . 0.0 109.261 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.21 -30.37 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.85 68.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -51.16 14.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.92 -51.57 68.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.36 -0.837 . . . . 0.0 108.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.48 65.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.082 -1.011 . . . . 0.0 109.988 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.32 23.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.159 -0.963 . . . . 0.0 109.828 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -59.85 -51.79 68.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 108.796 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.03 -29.17 28.11 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.21 -24.79 63.44 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.447 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.48 85.38 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -62.89 -113.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -1.193 . . . . 0.0 109.956 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.814 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.13 47.8 4.01 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -148.28 12.8 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.06 -58.35 3.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -61.94 -24.86 77.4 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.92 1.08 . . . . 0.0 109.47 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.84 75.23 0.45 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.82 121.52 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.261 -1.14 . . . . 0.0 109.434 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt 52.78 69.42 2.36 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.942 . . . . 0.0 109.644 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -59.11 157.15 30.9 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 120.947 1.098 . . . . 0.0 109.672 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.1 m -128.2 -20.64 3.71 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.659 -0.65 . . . . 0.0 110.451 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 22.2 p90 -96.94 13.12 29.94 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.004 -1.06 . . . . 0.0 109.334 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.542 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -70.62 -43.78 16.19 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.201 -0.937 . . . . 0.0 111.308 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.8 Cg_exo -53.23 -44.5 48.39 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.072 1.181 . . . . 0.0 111.951 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.2 p-90 -70.48 -38.38 74.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.46 -1.4 . . . . 0.0 108.443 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -66.64 -50.32 63.35 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.611 -0.68 . . . . 0.0 109.286 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.57 -39.87 68.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.046 -1.034 . . . . 0.0 108.365 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.71 78.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.63 67.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 109.337 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.84 -54.58 8.42 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.4 -0.812 . . . . 0.0 110.251 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.75 -44.35 81.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.983 -1.073 . . . . 0.0 109.19 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.36 -30.34 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -35.42 68.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 108.936 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.42 -51.4 13.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.77 -44.84 96.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 108.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.77 77.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 109.572 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -49.06 66.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -67.5 -53.04 32.13 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.191 -0.943 . . . . 0.0 108.941 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.55 -34.56 58.72 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.844 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.05 -23.96 64.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 108.557 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.63 90.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -69.03 -114.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.162 -1.199 . . . . 0.0 109.839 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.798 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.25 47.22 4.14 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.679 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.04 3.56 0.71 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.83 149.67 43.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.236 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -58.62 -159.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.669 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.65 -42.9 0.08 OUTLIER Glycine 0 N--CA 1.502 3.081 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.29 -11.09 59.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.17 -1.194 . . . . 0.0 109.253 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp 53.32 69.8 2.11 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.378 -0.826 . . . . 0.0 109.044 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.66 170.15 11.71 Favored 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 120.866 1.044 . . . . 0.0 109.429 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -147.32 23.61 1.16 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.287 -0.883 . . . . 0.0 109.416 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 14.3 p90 -161.98 20.99 0.11 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.151 -0.968 . . . . 0.0 109.946 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.568 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -77.88 -41.89 2.19 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.895 . . . . 0.0 111.205 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.4 Cg_exo -53.58 -44.79 46.0 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.937 1.092 . . . . 0.0 111.429 -177.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 10.3 p-90 -70.73 -32.49 69.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.61 -1.306 . . . . 0.0 108.397 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.67 -50.79 32.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.647 -0.658 . . . . 0.0 109.596 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 24.2 p -55.18 -41.23 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.905 -1.122 . . . . 0.0 108.241 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -68.37 -39.49 81.75 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.61 68.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.893 . . . . 0.0 109.733 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.24 -54.54 10.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.94 -45.64 73.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 109.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.43 -30.72 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.58 -37.14 68.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.168 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.49 -51.11 18.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.154 -0.966 . . . . 0.0 109.649 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.076 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.39 96.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.112 -0.993 . . . . 0.0 109.908 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.75 -52.84 61.65 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.156 -0.965 . . . . 0.0 109.913 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -62.17 -51.8 66.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.157 -0.965 . . . . 0.0 108.923 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 tt -53.34 -29.59 34.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.738 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.83 -24.03 65.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 108.8 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.51 86.31 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.537 HH21 ' NH2' ' A' ' 29' ' ' ARG . 35.7 mtm180 -61.47 -112.04 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.252 -1.146 . . . . 0.0 109.621 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.725 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 57.85 39.77 26.57 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -143.26 22.48 1.87 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.6 155.97 40.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.469 -0.769 . . . . 0.0 109.314 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.3 Cg_exo -62.55 -42.97 23.88 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.021 1.148 . . . . 0.0 109.6 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 5' ' ' LEU . . . 71.37 -9.46 4.36 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -67.52 2.7 1.64 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -1.157 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 3' ' ' GLY . 51.2 mt -127.13 79.24 73.35 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -57.11 156.4 24.79 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 120.748 0.965 . . . . 0.0 109.908 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -146.47 24.95 1.23 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.384 -0.822 . . . . 0.0 109.071 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 1.2 p90 -149.97 26.13 0.81 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.553 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -80.35 -43.88 1.38 Allowed Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.176 -0.952 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.74 -42.64 61.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.002 1.134 . . . . 0.0 111.391 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.7 p-90 -70.53 -33.82 71.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.631 -1.293 . . . . 0.0 108.252 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.15 -50.63 38.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.671 -0.643 . . . . 0.0 109.371 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.14 -42.92 73.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.045 . . . . 0.0 108.433 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.09 85.6 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.25 -29.37 67.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.509 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.78 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.346 -0.846 . . . . 0.0 110.145 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.12 -45.09 67.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.064 . . . . 0.0 109.393 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.36 -30.41 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.71 67.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.136 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.05 14.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.19 -0.944 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.96 -51.02 68.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 109.208 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.03 51.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.955 -1.09 . . . . 0.0 110.201 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.22 66.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.245 -0.909 . . . . 0.0 109.811 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.71 -53.81 29.54 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.233 -0.917 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.38 -34.11 56.36 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.86 -24.24 64.07 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.58 96.7 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.633 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.1 mtm180 -69.47 -114.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.338 -1.095 . . . . 0.0 109.512 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.752 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.8 mmp_? 57.81 16.01 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.747 0.784 . . . . 0.0 109.032 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -89.0 -19.11 26.09 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.83 1.12 5.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.684 -0.635 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.2 Cg_endo -64.16 2.03 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 121.033 1.156 . . . . 0.0 109.634 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . 75.43 -18.05 2.99 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -64.65 -108.62 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.174 . . . . 0.0 109.168 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.6 mt 53.05 69.78 2.15 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.913 -1.117 . . . . 0.0 109.802 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.45 169.35 2.34 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.98 1.12 . . . . 0.0 109.652 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 p -90.42 -11.19 41.16 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.246 -0.909 . . . . 0.0 108.939 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 42.4 p90 -159.46 130.42 5.96 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.625 ' H ' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -170.59 -46.86 0.0 OUTLIER Pre-proline 0 C--N 1.292 -1.898 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.625 ' HD2' ' H ' ' A' ' 9' ' ' TRP . 10.3 Cg_exo -60.54 -36.31 86.53 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.396 -1.04 . . . . 0.0 109.396 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.9 p-90 -70.64 -35.01 72.69 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -70.08 -50.39 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.7 t -55.26 -41.1 71.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.975 -1.078 . . . . 0.0 108.344 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.79 77.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -29.31 67.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.7 -54.65 9.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.823 . . . . 0.0 110.181 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.52 -45.03 73.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.102 -0.999 . . . . 0.0 109.309 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -54.28 -30.26 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.68 68.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.0 109.026 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -51.11 14.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.7 -51.61 67.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 108.961 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.45 -33.22 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.971 -1.08 . . . . 0.0 110.026 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.82 -49.72 64.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.11 -0.994 . . . . 0.0 109.701 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -67.32 -53.78 26.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.084 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.23 -33.89 54.79 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.098 0.475 . . . . 0.0 109.863 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.98 -24.1 65.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 108.36 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.4 93.99 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.63 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.5 mtm180 -67.32 -116.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.383 -1.069 . . . . 0.0 109.613 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.686 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.42 42.45 3.82 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.634 0.731 . . . . 0.0 109.037 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 23.6 m-80 -144.38 2.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.73 142.64 51.43 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.422 -0.799 . . . . 0.0 109.239 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.69 -160.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.769 0 C-N-CA 121.035 1.157 . . . . 0.0 109.46 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.45 32.13 0.23 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.93 0.26 43.68 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.42 -1.047 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.23 -43.73 56.08 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.253 -0.904 . . . . 0.0 110.716 -179.745 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 6.1 Cg_exo -66.4 -178.86 1.28 Allowed 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 109.68 -0.931 . . . . 0.0 109.68 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -168.87 32.76 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 109.731 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 27.5 p90 -147.58 18.08 1.16 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.128 -0.982 . . . . 0.0 109.318 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.4 -42.92 4.2 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.146 -0.971 . . . . 0.0 111.259 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.6 Cg_exo -52.68 -44.16 49.88 Favored 'Trans proline' 0 C--N 1.322 -0.852 0 C-N-CA 120.892 1.061 . . . . 0.0 111.68 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.7 p-90 -70.94 -36.21 72.54 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.545 -1.347 . . . . 0.0 108.617 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.1 tt -69.64 -51.9 30.66 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -52.79 -41.52 64.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 108.568 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.29 77.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.41 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.265 -0.897 . . . . 0.0 109.418 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -54.61 9.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.166 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.62 -44.92 76.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.025 -1.047 . . . . 0.0 109.274 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.29 -30.31 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 108.619 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -36.03 68.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.085 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.3 -51.23 13.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 0.0 109.654 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -51.41 69.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 108.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.18 -35.22 59.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 110.06 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -53.26 33.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.968 . . . . 0.0 109.589 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.4 -52.02 67.41 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.278 -0.889 . . . . 0.0 108.892 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.03 -29.11 27.82 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.303 0.573 . . . . 0.0 109.515 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.47 -24.23 63.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.41 -40.4 60.24 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -57.55 -103.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.034 -1.274 . . . . 0.0 110.238 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.79 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 55.9 56.05 6.4 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.5 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 14.0 p-10 -155.09 14.97 0.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.1 mt -69.78 145.73 51.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 109.279 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 4' ' ' ALA . 2.1 Cg_endo -64.17 1.99 1.33 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.09 1.193 . . . . 0.0 109.648 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . -63.07 79.79 0.03 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . -158.9 -29.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.332 -1.099 . . . . 0.0 109.396 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt 52.7 69.64 2.26 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.52 150.01 87.16 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.901 1.068 . . . . 0.0 109.477 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 t -171.55 36.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.932 . . . . 0.0 109.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 13.8 p90 -144.16 17.0 1.73 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.188 -0.945 . . . . 0.0 109.394 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.557 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.71 -42.83 4.97 Favored Pre-proline 0 C--N 1.298 -1.647 0 O-C-N 121.453 -0.779 . . . . 0.0 111.101 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.4 Cg_exo -54.5 -44.4 49.89 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 121.035 1.157 . . . . 0.0 111.898 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.9 p-90 -70.17 -32.77 70.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.456 -1.402 . . . . 0.0 108.459 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.83 -50.86 38.62 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -56.13 -40.25 73.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.033 . . . . 0.0 108.256 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.42 78.03 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.68 68.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 109.545 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.61 8.58 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -67.12 -44.6 79.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.107 -0.996 . . . . 0.0 109.29 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.22 -30.38 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 108.6 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -38.41 68.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.244 -0.91 . . . . 0.0 109.133 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.16 16.97 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.184 -0.948 . . . . 0.0 109.665 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.77 -51.57 69.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 108.855 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -30.91 33.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.247 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.2 62.36 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.059 -1.026 . . . . 0.0 109.796 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -69.9 -53.55 17.48 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.262 -0.899 . . . . 0.0 109.228 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.12 -30.51 37.03 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.894 -0.503 . . . . 0.0 109.948 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.7 -23.83 65.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.136 -0.977 . . . . 0.0 108.521 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.81 -39.31 85.81 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -63.1 -114.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 0.0 109.836 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.801 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 64.14 28.44 14.11 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -115.61 -50.65 2.7 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.7 mt 45.06 -152.97 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.842 -0.536 . . . . 0.0 110.759 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.92 -1.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -62.12 -156.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.025 1.15 . . . . 0.0 109.63 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.17 55.47 18.64 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.93 96.15 1.25 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -1.105 . . . . 0.0 109.585 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.9 mt -134.32 60.24 42.35 Favored Pre-proline 0 N--CA 1.504 2.25 0 O-C-N 121.678 -0.639 . . . . 0.0 109.42 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -51.2 -68.06 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 120.986 1.124 . . . . 0.0 110.735 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.6 m -165.32 -70.85 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.764 -1.21 . . . . 0.0 110.925 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.477 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 21.5 p90 -96.9 16.44 19.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.095 -1.003 . . . . 0.0 109.992 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.564 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -73.39 -42.08 6.51 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 111.27 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.9 Cg_exo -52.94 -44.78 45.86 Favored 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 121.026 1.151 . . . . 0.0 111.896 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.1 p-90 -70.55 -33.55 71.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.47 -1.394 . . . . 0.0 108.373 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.78 -50.57 41.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.668 -0.645 . . . . 0.0 109.39 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.516 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 20.1 p -55.07 -42.96 73.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.925 -1.11 . . . . 0.0 108.324 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -66.41 -39.44 88.98 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.95 -29.52 68.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -0.804 . . . . 0.0 109.719 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.35 -54.67 9.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 13' ' ' CYS . 2.4 mp0 -66.05 -48.27 71.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.03 -1.044 . . . . 0.0 108.662 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.89 -31.24 20.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.97 67.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.118 -0.989 . . . . 0.0 109.131 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.75 -51.4 14.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.142 -0.974 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.9 tp -61.07 -43.93 98.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 109.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.99 94.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 0.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.93 -53.68 50.38 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.68 -50.93 71.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.0 108.922 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.22 -29.08 30.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.333 0.587 . . . . 0.0 109.606 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -61.84 -24.15 66.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.08 31.18 2.59 Favored Glycine 0 N--CA 1.496 2.668 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -134.89 -101.9 0.23 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.514 -0.992 . . . . 0.0 109.417 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.778 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 61.76 55.02 2.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -151.09 21.8 0.76 Allowed 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.78 -149.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.824 . . . . 0.0 109.386 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.824 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' C ' ' H ' ' A' ' 4' ' ' ALA . 4.3 Cg_exo -62.08 -20.15 68.79 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 120.906 1.071 . . . . 0.0 109.603 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.92 41.44 0.86 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -170.39 97.53 0.26 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -1.168 . . . . 0.0 109.429 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.545 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.57 -43.37 51.16 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 110.551 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 3.9 Cg_exo -67.77 176.16 5.47 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 120.662 0.908 . . . . 0.0 109.759 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 t -167.05 34.96 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.297 -0.877 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -155.37 28.0 0.4 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.26 -0.9 . . . . 0.0 108.784 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.76 -43.32 1.53 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.223 -0.923 . . . . 0.0 111.19 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -51.9 -43.27 53.07 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.892 1.061 . . . . 0.0 111.617 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.5 p-90 -70.49 -38.83 74.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.502 -1.373 . . . . 0.0 108.17 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 41.8 tp -65.32 -50.23 66.44 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 51.4 t -53.15 -45.16 68.29 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.965 -1.084 . . . . 0.0 108.284 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.6 94.44 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -29.3 68.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.738 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -54.67 11.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.119 -0.988 . . . . 0.0 110.196 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 13' ' ' CYS . 16.2 mp0 -67.78 -47.07 70.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.847 -1.158 . . . . 0.0 108.743 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -53.96 -30.96 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.76 -36.09 67.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.0 108.911 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.37 -51.27 17.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.92 -48.75 80.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.302 -0.873 . . . . 0.0 108.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.07 82.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.756 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.13 39.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.1 -1.0 . . . . 0.0 109.876 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -61.75 -53.44 55.95 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.716 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.7 -39.7 65.41 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.74 -23.73 66.35 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.65 -35.46 80.74 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -61.83 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -1.209 . . . . 0.0 109.752 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.807 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.47 47.97 4.81 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -145.98 23.89 1.35 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.11 61.36 0.6 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 109.361 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 5.4 Cg_exo -65.77 -48.22 3.19 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 N-CA-C 109.525 -0.99 . . . . 0.0 109.525 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.32 -14.47 3.08 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -66.21 176.54 1.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.5 mt 60.8 147.67 0.08 OUTLIER Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -55.23 -179.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.541 0.844 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.3 p -145.71 21.22 1.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.368 -0.832 . . . . 0.0 109.482 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 26.3 p90 -144.2 17.07 1.72 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.275 -0.89 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.46 -43.49 4.23 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 111.007 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -52.02 -44.12 47.78 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.004 1.136 . . . . 0.0 111.715 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.57 -33.47 71.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.435 -1.415 . . . . 0.0 108.307 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 tp -70.39 -50.37 39.39 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.579 -0.7 . . . . 0.0 109.118 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.02 -41.15 70.99 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.058 -1.026 . . . . 0.0 108.359 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.11 78.58 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.34 -29.36 67.59 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.42 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.28 -54.6 9.08 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.193 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.28 -45.03 77.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.165 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.32 -30.84 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.18 67.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 108.9 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -51.34 19.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.294 -0.879 . . . . 0.0 109.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.16 -45.04 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 108.963 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.94 71.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.689 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.53 -49.94 42.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.088 -1.007 . . . . 0.0 109.985 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -66.67 -52.93 39.23 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.215 -0.928 . . . . 0.0 109.168 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.23 -35.57 60.1 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.788 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.04 -23.84 64.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 0.0 108.455 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -36.1 88.15 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -67.94 -114.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -1.168 . . . . 0.0 109.782 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.801 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.96 47.03 4.5 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.761 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -147.39 2.38 0.74 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.05 126.05 29.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.457 -0.777 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.521 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 6.0 Cg_exo -65.74 -158.2 0.04 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 N-CA-C 109.55 -0.981 . . . . 0.0 109.55 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.9 -60.08 0.07 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.91 163.5 19.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -1.164 . . . . 0.0 109.245 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.43 154.34 91.78 Favored Pre-proline 0 N--CA 1.495 1.787 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.56 152.65 53.86 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 N-CA-C 109.33 -1.065 . . . . 0.0 109.33 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -163.48 31.71 0.09 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.199 -0.938 . . . . 0.0 109.21 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 15.1 p90 -164.62 20.06 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.984 -1.072 . . . . 0.0 110.212 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.582 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -78.26 -41.25 1.95 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.306 -0.871 . . . . 0.0 111.124 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.5 Cg_exo -53.9 -44.68 47.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 120.866 1.044 . . . . 0.0 111.451 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.6 p-90 -70.78 -33.86 71.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.655 -1.278 . . . . 0.0 108.848 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' C ' HD23 ' A' ' 12' ' ' LEU . 5.4 tt -70.83 -52.14 22.29 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.57 -0.706 . . . . 0.0 109.569 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 23.2 p -54.18 -42.03 69.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.708 -1.245 . . . . 0.0 108.433 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.62 -39.1 84.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -29.33 66.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.85 -54.38 11.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.466 -0.771 . . . . 0.0 110.232 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -69.72 -45.49 68.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.053 -1.029 . . . . 0.0 109.212 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.22 -30.51 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.98 68.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.232 -0.917 . . . . 0.0 109.08 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.95 -51.15 14.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.728 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.71 -51.03 68.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.871 . . . . 0.0 109.295 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.43 63.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.985 -1.072 . . . . 0.0 110.083 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.7 65.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 109.8 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -66.51 -53.92 29.64 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.283 -0.886 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.4 -34.66 58.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.6 tp -60.45 -23.73 64.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.139 -0.975 . . . . 0.0 108.441 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.19 29.37 1.65 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.626 HH21 ' NH2' ' A' ' 29' ' ' ARG . 24.6 mtm180 -143.8 -114.24 0.1 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -1.044 . . . . 0.0 109.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.723 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 58.69 39.95 23.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -146.81 13.66 1.17 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.0 mt -69.96 172.69 7.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.408 -0.808 . . . . 0.0 109.372 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.5 Cg_endo -63.07 -74.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.004 1.136 . . . . 0.0 109.476 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.94 -2.47 4.87 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 5' ' ' LEU . . . -68.43 -47.81 66.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -1.126 . . . . 0.0 109.555 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' ALA . 8.7 mp 58.29 155.47 0.09 OUTLIER Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -59.36 154.19 48.74 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 N-CA-C 109.663 -0.937 . . . . 0.0 109.663 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -169.97 36.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.3 -0.875 . . . . 0.0 109.38 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -164.1 32.07 0.08 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.66 -43.65 1.57 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.153 -0.967 . . . . 0.0 111.461 -179.672 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 24.6 Cg_exo -50.31 -44.51 38.51 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.048 1.165 . . . . 0.0 111.702 -177.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.0 p-90 -70.63 -35.24 72.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.581 -1.324 . . . . 0.0 108.511 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 tp -69.39 -50.72 43.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.692 -0.63 . . . . 0.0 109.635 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.7 p -54.37 -41.92 69.72 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 108.269 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.3 -41.09 85.97 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -29.72 68.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.294 -0.879 . . . . 0.0 109.636 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.87 -54.62 8.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 110.11 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.31 -44.99 81.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.127 -0.983 . . . . 0.0 109.243 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -54.43 -31.02 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.65 66.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 109.222 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.05 -39.63 60.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.357 -0.839 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.88 -44.29 49.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.158 -0.964 . . . . 0.0 108.617 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.94 88.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.155 -0.966 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.34 -53.36 53.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.075 -1.016 . . . . 0.0 109.741 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -51.3 70.35 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.239 -0.913 . . . . 0.0 108.845 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 tt -53.36 -29.38 34.01 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -63.74 -24.29 67.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.39 -36.65 69.8 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -60.75 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.094 -1.239 . . . . 0.0 109.89 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.784 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.4 49.73 4.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.439 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -147.73 21.83 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.27 3.7 5.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.392 -0.818 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 18.3 Cg_exo -53.98 -43.71 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.113 1.209 . . . . 0.0 111.931 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 p-90 -70.3 -32.06 69.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.46 -1.4 . . . . 0.0 108.469 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.9 tp -70.73 -50.99 30.29 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 m -56.13 -40.85 74.42 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.24 69.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.27 -54.62 7.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.292 -0.88 . . . . 0.0 109.898 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.6 -46.09 80.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 0.0 109.375 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.7 t -54.49 -30.49 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.02 68.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.91 -51.06 17.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.165 -0.959 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.88 -51.62 67.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.896 . . . . 0.0 108.978 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.39 59.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.894 -1.129 . . . . 0.0 109.994 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.85 -49.1 66.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.092 -1.005 . . . . 0.0 109.797 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -68.32 -53.57 23.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.184 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.36 -32.81 51.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.942 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.39 -24.08 64.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.955 . . . . 0.0 108.502 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.72 95.45 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.623 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.8 mtm180 -68.53 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -1.076 . . . . 0.0 109.599 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.712 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 58.09 39.71 25.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.66 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.14 16.58 1.72 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.309 -0.87 . . . . 0.0 109.254 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.547 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.184 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.83 -43.21 53.11 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.856 1.037 . . . . 0.0 111.553 -177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -70.55 -36.39 73.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.495 -1.378 . . . . 0.0 108.251 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.33 -50.48 53.11 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.53 -41.41 66.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.094 -1.004 . . . . 0.0 108.343 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.07 81.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.46 69.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.65 10.85 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.93 -45.24 74.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.109 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.48 -30.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.92 68.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 108.985 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -51.21 21.73 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 109.386 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.55 -51.51 68.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.927 . . . . 0.0 108.682 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.35 67.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.061 -1.024 . . . . 0.0 109.717 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.29 62.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 109.751 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.25 -53.68 40.63 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.55 -36.31 61.68 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.74 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.79 -24.05 65.5 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.62 -40.36 95.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.625 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.3 mtm180 -64.77 -113.01 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.29 -1.124 . . . . 0.0 109.471 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.737 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 57.88 39.34 26.88 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.669 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.61 17.06 1.65 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.437 -0.789 . . . . 0.0 109.325 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.533 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.521 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.6 Cg_exo -51.33 -45.44 37.22 Favored 'Trans proline' 0 C--N 1.321 -0.873 0 C-N-CA 121.05 1.167 . . . . 0.0 112.013 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -70.28 -35.29 73.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.491 -1.381 . . . . 0.0 108.349 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.53 -50.47 51.75 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -53.6 -42.02 67.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.048 -1.033 . . . . 0.0 108.357 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.64 85.2 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.68 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.322 -0.861 . . . . 0.0 109.496 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.49 8.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 0.0 109.927 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.77 -45.81 81.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.118 -0.989 . . . . 0.0 109.122 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.43 -30.36 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.29 68.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 108.981 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.75 -51.25 19.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.37 -51.24 70.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.247 -0.908 . . . . 0.0 108.576 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.77 72.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 109.661 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.75 54.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.974 . . . . 0.0 110.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -64.46 -53.59 45.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.895 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.68 -36.7 62.46 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.84 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.14 -24.05 64.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.083 -1.01 . . . . 0.0 108.433 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.01 -38.27 95.26 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.627 HH21 ' NH2' ' A' ' 29' ' ' ARG . 31.8 mtm180 -69.57 -117.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.426 -1.044 . . . . 0.0 109.517 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.2 42.0 4.22 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.598 0.714 . . . . 0.0 109.094 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 20.6 m-80 -141.99 15.69 2.1 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.03 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.2 Cg_exo -52.4 -43.59 53.13 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 120.991 1.128 . . . . 0.0 111.696 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.7 p-90 -70.55 -33.16 70.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.526 -1.359 . . . . 0.0 108.343 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.41 -50.34 39.5 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 109.163 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.43 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.062 -1.024 . . . . 0.0 108.325 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.91 79.71 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -29.29 66.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -54.64 8.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.32 -0.862 . . . . 0.0 110.157 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.71 -44.55 77.43 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.05 -1.031 . . . . 0.0 109.229 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -54.31 -30.41 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.69 68.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.033 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.81 -51.14 14.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.278 -0.888 . . . . 0.0 109.647 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.23 -51.01 70.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 108.976 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -48.62 65.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.609 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -66.69 -52.79 40.65 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.143 -0.973 . . . . 0.0 108.968 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.16 -29.44 31.47 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.133 0.492 . . . . 0.0 109.942 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.43 -23.9 64.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.081 -1.012 . . . . 0.0 108.668 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.48 88.98 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.597 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.9 mtm180 -61.45 -112.41 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 109.652 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.719 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 57.76 39.65 26.96 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.662 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.9 6.19 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.459 -0.775 . . . . 0.0 109.254 179.815 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.313 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.43 -45.48 37.21 Favored 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 120.874 1.049 . . . . 0.0 111.932 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -70.69 -37.05 73.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.42 -1.425 . . . . 0.0 108.459 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.03 -50.75 53.48 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.08 -42.13 65.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 108.37 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.13 86.8 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -29.57 68.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.65 8.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 110.191 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -67.08 -44.94 78.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 109.178 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -54.39 -30.33 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.645 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.66 67.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.205 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -51.23 18.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.18 -0.95 . . . . 0.0 109.482 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.56 -50.98 71.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 108.75 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.44 69.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.028 -1.045 . . . . 0.0 109.927 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.54 -53.17 24.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -61.47 -52.49 64.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 108.989 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tt -53.07 -29.29 29.36 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.784 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.09 -24.02 62.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.992 . . . . 0.0 108.752 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.01 87.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.607 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.0 mtm180 -63.33 -117.14 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -1.101 . . . . 0.0 109.486 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.1 mmp_? 64.05 37.71 9.0 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 9.5 m-80 -131.87 26.85 4.63 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.28 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.555 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 119.159 -0.448 . . . . 0.0 111.367 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 19.5 Cg_exo -53.68 -44.2 51.2 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.156 1.237 . . . . 0.0 111.882 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -70.53 -34.21 72.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.548 -1.345 . . . . 0.0 108.52 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.88 -50.48 41.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.524 -0.735 . . . . 0.0 109.603 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.003 -1.06 . . . . 0.0 108.414 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.13 84.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.61 -29.25 67.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -0.898 . . . . 0.0 109.398 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -54.72 12.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.1 -45.45 66.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.045 -1.034 . . . . 0.0 109.307 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.25 -30.63 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.83 68.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.006 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.03 34.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.217 -0.927 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.89 -51.08 59.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.261 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.96 65.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.087 -1.008 . . . . 0.0 109.868 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -51.9 51.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.109 -0.994 . . . . 0.0 109.612 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -63.26 -54.38 38.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.985 0.898 . . . . 0.0 109.01 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.67 -38.77 64.51 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.859 -0.526 . . . . 0.0 109.667 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.47 -23.98 63.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 0.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.71 -33.84 87.16 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 30.2 mtm180 -74.43 -116.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.242 -1.152 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.8 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.35 46.16 4.57 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 8.4 m-80 -147.76 5.51 0.79 Allowed 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 109.363 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.8 Cg_exo -54.07 -43.78 55.2 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.151 1.234 . . . . 0.0 111.991 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.21 -33.52 71.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.49 -1.381 . . . . 0.0 108.375 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -69.23 -50.63 45.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 m -55.64 -42.49 75.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.032 -1.043 . . . . 0.0 108.304 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.88 84.55 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.34 69.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.73 -54.72 12.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 110.084 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -68.93 -45.99 69.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.021 -1.049 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -54.61 -31.37 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 108.673 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.93 67.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.253 -0.905 . . . . 0.0 108.941 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.06 -51.08 23.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.01 -43.8 86.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.0 109.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.02 78.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.067 -1.02 . . . . 0.0 109.94 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -53.35 14.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.55 -50.56 73.07 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.187 0.994 . . . . 0.0 108.668 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.02 -29.2 28.11 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -60.36 -26.13 66.38 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.8 96.81 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.636 HH21 ' NH2' ' A' ' 29' ' ' ARG . 30.8 mtm180 -65.75 -119.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -1.161 . . . . 0.0 109.714 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.688 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 65.32 40.92 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 18.9 m-80 -140.28 16.81 2.41 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.883 . . . . 0.0 109.352 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 119.014 -0.517 . . . . 0.0 111.223 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.6 -44.35 48.12 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.892 1.061 . . . . 0.0 111.671 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.61 -32.75 70.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.487 -1.383 . . . . 0.0 108.305 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 tp -71.47 -50.61 29.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.689 . . . . 0.0 109.2 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.26 -41.04 68.35 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.039 -1.038 . . . . 0.0 108.204 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.98 78.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.14 76.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.92 . . . . 0.0 109.758 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.61 7.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.361 -0.837 . . . . 0.0 109.884 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.84 -34.22 72.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.357 -0.839 . . . . 0.0 109.474 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.8 t -66.75 -31.18 52.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.45 67.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 109.102 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.02 -50.52 19.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.236 -0.915 . . . . 0.0 109.508 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.18 -47.05 84.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.177 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.17 -30.83 66.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.34 -52.88 22.94 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.408 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.3 -50.86 71.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 122.184 0.992 . . . . 0.0 108.479 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 25' ' ' LEU . 4.9 tt -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 tp -54.03 -23.51 13.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.952 . . . . 0.0 109.019 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.66 70.49 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.6 mtm180 -69.64 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 109.827 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.756 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.09 50.48 4.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.449 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.0 m-80 -147.42 24.3 1.12 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 109.267 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.549 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 119.108 -0.472 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.8 Cg_exo -52.72 -41.9 66.41 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.866 1.044 . . . . 0.0 111.569 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -70.62 -33.64 71.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.574 -1.329 . . . . 0.0 108.196 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.65 -50.45 36.65 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.18 -41.36 71.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.042 -1.036 . . . . 0.0 108.369 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.28 78.52 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.46 67.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 109.422 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -54.62 9.48 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.22 -44.74 75.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.023 -1.048 . . . . 0.0 109.261 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.21 -30.37 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.85 68.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -51.16 14.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.92 -51.57 68.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.36 -0.837 . . . . 0.0 108.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.48 65.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.082 -1.011 . . . . 0.0 109.988 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.32 23.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.159 -0.963 . . . . 0.0 109.828 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -59.85 -51.79 68.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 108.796 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.03 -29.17 28.11 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.21 -24.79 63.44 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.447 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.48 85.38 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.8 mtm180 -62.89 -113.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -1.193 . . . . 0.0 109.956 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.814 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.13 47.8 4.01 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 7.7 m-80 -148.28 12.8 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 109.326 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.542 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.308 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.8 Cg_exo -53.23 -44.5 48.39 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.072 1.181 . . . . 0.0 111.951 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 7.2 p-90 -70.48 -38.38 74.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.46 -1.4 . . . . 0.0 108.443 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -66.64 -50.32 63.35 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.611 -0.68 . . . . 0.0 109.286 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.57 -39.87 68.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.046 -1.034 . . . . 0.0 108.365 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.71 78.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.63 67.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 109.337 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.84 -54.58 8.42 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.4 -0.812 . . . . 0.0 110.251 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.75 -44.35 81.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.983 -1.073 . . . . 0.0 109.19 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.36 -30.34 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -35.42 68.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 108.936 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.42 -51.4 13.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.77 -44.84 96.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 108.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.77 77.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 109.572 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -49.06 66.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -67.5 -53.04 32.13 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.191 -0.943 . . . . 0.0 108.941 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.55 -34.56 58.72 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.844 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.05 -23.96 64.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 108.557 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.63 90.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.538 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 31.2 mtm180 -69.03 -114.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.162 -1.199 . . . . 0.0 109.839 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.798 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.25 47.22 4.14 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 8.1 m-80 -148.04 3.56 0.71 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.236 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.568 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.205 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.4 Cg_exo -53.58 -44.79 46.0 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.937 1.092 . . . . 0.0 111.429 -177.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.3 p-90 -70.73 -32.49 69.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.61 -1.306 . . . . 0.0 108.397 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.67 -50.79 32.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.647 -0.658 . . . . 0.0 109.596 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 24.2 p -55.18 -41.23 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.905 -1.122 . . . . 0.0 108.241 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -68.37 -39.49 81.75 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.61 68.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.893 . . . . 0.0 109.733 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.24 -54.54 10.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.94 -45.64 73.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 109.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.43 -30.72 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.58 -37.14 68.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.168 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.49 -51.11 18.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.154 -0.966 . . . . 0.0 109.649 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.076 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.39 96.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.112 -0.993 . . . . 0.0 109.908 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.75 -52.84 61.65 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.156 -0.965 . . . . 0.0 109.913 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -62.17 -51.8 66.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.157 -0.965 . . . . 0.0 108.923 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 tt -53.34 -29.59 34.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.738 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.83 -24.03 65.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 108.8 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.51 86.31 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.537 HH21 ' NH2' ' A' ' 29' ' ' ARG . 35.7 mtm180 -61.47 -112.04 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.252 -1.146 . . . . 0.0 109.621 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.725 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 57.85 39.77 26.57 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.664 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -143.26 22.48 1.87 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.4 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.469 -0.769 . . . . 0.0 109.314 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.553 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.74 -42.64 61.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.002 1.134 . . . . 0.0 111.391 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -70.53 -33.82 71.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.631 -1.293 . . . . 0.0 108.252 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.15 -50.63 38.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.671 -0.643 . . . . 0.0 109.371 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.14 -42.92 73.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.045 . . . . 0.0 108.433 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.09 85.6 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.25 -29.37 67.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.509 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.78 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.346 -0.846 . . . . 0.0 110.145 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.12 -45.09 67.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.064 . . . . 0.0 109.393 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.36 -30.41 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.71 67.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.136 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.05 14.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.19 -0.944 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.96 -51.02 68.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 109.208 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.03 51.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.955 -1.09 . . . . 0.0 110.201 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.22 66.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.245 -0.909 . . . . 0.0 109.811 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.71 -53.81 29.54 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.233 -0.917 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.38 -34.11 56.36 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.86 -24.24 64.07 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.58 96.7 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.633 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.1 mtm180 -69.47 -114.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.338 -1.095 . . . . 0.0 109.512 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.752 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.8 mmp_? 57.81 16.01 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.747 0.784 . . . . 0.0 109.032 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.844 HD22 ' H ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -89.0 -19.11 26.09 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.684 -0.635 . . . . 0.0 109.511 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.494 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 10.3 Cg_exo -60.54 -36.31 86.53 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.396 -1.04 . . . . 0.0 109.396 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.9 p-90 -70.64 -35.01 72.69 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -70.08 -50.39 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.7 t -55.26 -41.1 71.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.975 -1.078 . . . . 0.0 108.344 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.79 77.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -29.31 67.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.7 -54.65 9.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.823 . . . . 0.0 110.181 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.52 -45.03 73.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.102 -0.999 . . . . 0.0 109.309 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -54.28 -30.26 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.68 68.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.0 109.026 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -51.11 14.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.7 -51.61 67.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 108.961 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.45 -33.22 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.971 -1.08 . . . . 0.0 110.026 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.82 -49.72 64.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.11 -0.994 . . . . 0.0 109.701 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -67.32 -53.78 26.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.084 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.23 -33.89 54.79 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.098 0.475 . . . . 0.0 109.863 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.98 -24.1 65.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 108.36 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.4 93.99 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.63 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.5 mtm180 -67.32 -116.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.383 -1.069 . . . . 0.0 109.613 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.686 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.42 42.45 3.82 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.634 0.731 . . . . 0.0 109.037 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 23.6 m-80 -144.38 2.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.9 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.422 -0.799 . . . . 0.0 109.239 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.259 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.6 Cg_exo -52.68 -44.16 49.88 Favored 'Trans proline' 0 C--N 1.322 -0.852 0 C-N-CA 120.892 1.061 . . . . 0.0 111.68 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 7.7 p-90 -70.94 -36.21 72.54 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.545 -1.347 . . . . 0.0 108.617 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.1 tt -69.64 -51.9 30.66 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -52.79 -41.52 64.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 108.568 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.29 77.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.41 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.265 -0.897 . . . . 0.0 109.418 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -54.61 9.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.166 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.62 -44.92 76.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.025 -1.047 . . . . 0.0 109.274 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.29 -30.31 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 108.619 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -36.03 68.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.085 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.3 -51.23 13.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 0.0 109.654 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -51.41 69.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 108.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.18 -35.22 59.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 110.06 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -53.26 33.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.968 . . . . 0.0 109.589 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.4 -52.02 67.41 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.278 -0.889 . . . . 0.0 108.892 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.03 -29.11 27.82 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.303 0.573 . . . . 0.0 109.515 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.47 -24.23 63.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.41 -40.4 60.24 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' C ' HD22 ' A' ' 30' ' ' ASN . 40.4 mtm180 -57.55 -103.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.034 -1.274 . . . . 0.0 110.238 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.79 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 55.9 56.05 6.4 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.5 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.688 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -155.09 14.97 0.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 109.279 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.557 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.4 Cg_exo -54.5 -44.4 49.89 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 121.035 1.157 . . . . 0.0 111.898 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 -70.17 -32.77 70.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.456 -1.402 . . . . 0.0 108.459 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.83 -50.86 38.62 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -56.13 -40.25 73.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.033 . . . . 0.0 108.256 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.42 78.03 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.68 68.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 109.545 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.61 8.58 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -67.12 -44.6 79.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.107 -0.996 . . . . 0.0 109.29 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.22 -30.38 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 108.6 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -38.41 68.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.244 -0.91 . . . . 0.0 109.133 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.16 16.97 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.184 -0.948 . . . . 0.0 109.665 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.77 -51.57 69.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 108.855 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -30.91 33.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.247 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.2 62.36 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.059 -1.026 . . . . 0.0 109.796 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -69.9 -53.55 17.48 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.262 -0.899 . . . . 0.0 109.228 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.12 -30.51 37.03 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.894 -0.503 . . . . 0.0 109.948 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.7 -23.83 65.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.136 -0.977 . . . . 0.0 108.521 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.81 -39.31 85.81 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 33.1 mtm180 -63.1 -114.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 0.0 109.836 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.801 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 64.14 28.44 14.11 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 1.7 m-80 -115.61 -50.65 2.7 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.842 -0.536 . . . . 0.0 110.759 178.612 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.564 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.27 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.9 Cg_exo -52.94 -44.78 45.86 Favored 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 121.026 1.151 . . . . 0.0 111.896 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -70.55 -33.55 71.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.47 -1.394 . . . . 0.0 108.373 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.78 -50.57 41.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.668 -0.645 . . . . 0.0 109.39 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.1 p -55.07 -42.96 73.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.925 -1.11 . . . . 0.0 108.324 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -66.41 -39.44 88.98 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.95 -29.52 68.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -0.804 . . . . 0.0 109.719 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.44 ' HB3' HE22 ' A' ' 17' ' ' GLN . . . -71.35 -54.67 9.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 17' ' ' GLN . 2.0 mp0 -66.05 -48.27 71.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.03 -1.044 . . . . 0.0 108.662 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.89 -31.24 20.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.97 67.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.118 -0.989 . . . . 0.0 109.131 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.75 -51.4 14.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.142 -0.974 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.9 tp -61.07 -43.93 98.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 109.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.99 94.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 0.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.93 -53.68 50.38 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.68 -50.93 71.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.0 108.922 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.22 -29.08 30.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.333 0.587 . . . . 0.0 109.606 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -61.84 -24.15 66.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.08 31.18 2.59 Favored Glycine 0 N--CA 1.496 2.668 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.512 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 28.4 mtm180 -134.89 -101.9 0.23 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.514 -0.992 . . . . 0.0 109.417 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.778 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 61.76 55.02 2.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.0 m-80 -151.09 21.8 0.76 Allowed 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.824 . . . . 0.0 109.386 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.19 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -51.9 -43.27 53.07 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.892 1.061 . . . . 0.0 111.617 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.431 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.5 p-90 -70.49 -38.83 74.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.502 -1.373 . . . . 0.0 108.17 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 41.8 tp -65.32 -50.23 66.44 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 51.4 t -53.15 -45.16 68.29 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.965 -1.084 . . . . 0.0 108.284 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.6 94.44 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -29.3 68.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.738 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -54.67 11.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.119 -0.988 . . . . 0.0 110.196 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 13' ' ' CYS . 16.2 mp0 -67.78 -47.07 70.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.847 -1.158 . . . . 0.0 108.743 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -53.96 -30.96 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.76 -36.09 67.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.0 108.911 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.37 -51.27 17.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.92 -48.75 80.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.302 -0.873 . . . . 0.0 108.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.07 82.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.756 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.13 39.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.1 -1.0 . . . . 0.0 109.876 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -61.75 -53.44 55.95 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.716 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.7 -39.7 65.41 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.74 -23.73 66.35 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.65 -35.46 80.74 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.538 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.4 mtm180 -61.83 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -1.209 . . . . 0.0 109.752 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.807 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.47 47.97 4.81 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.2 m-80 -145.98 23.89 1.35 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 109.361 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -52.02 -44.12 47.78 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.004 1.136 . . . . 0.0 111.715 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -70.57 -33.47 71.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.435 -1.415 . . . . 0.0 108.307 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 tp -70.39 -50.37 39.39 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.579 -0.7 . . . . 0.0 109.118 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.02 -41.15 70.99 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.058 -1.026 . . . . 0.0 108.359 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.11 78.58 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.34 -29.36 67.59 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.42 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.28 -54.6 9.08 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.193 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.28 -45.03 77.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.165 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.32 -30.84 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.18 67.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 108.9 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -51.34 19.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.294 -0.879 . . . . 0.0 109.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.16 -45.04 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 108.963 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.94 71.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.689 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.53 -49.94 42.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.088 -1.007 . . . . 0.0 109.985 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -66.67 -52.93 39.23 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.215 -0.928 . . . . 0.0 109.168 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.23 -35.57 60.1 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.788 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.04 -23.84 64.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 0.0 108.455 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -36.1 88.15 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.528 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 30.7 mtm180 -67.94 -114.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -1.168 . . . . 0.0 109.782 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.801 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.96 47.03 4.5 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 7.5 m-80 -147.39 2.38 0.74 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.457 -0.777 . . . . 0.0 109.252 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.582 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 119.148 -0.453 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.5 Cg_exo -53.9 -44.68 47.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 120.866 1.044 . . . . 0.0 111.451 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -70.78 -33.86 71.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.655 -1.278 . . . . 0.0 108.848 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' C ' HD23 ' A' ' 12' ' ' LEU . 5.4 tt -70.83 -52.14 22.29 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.57 -0.706 . . . . 0.0 109.569 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 23.2 p -54.18 -42.03 69.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.708 -1.245 . . . . 0.0 108.433 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.508 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.62 -39.1 84.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -29.33 66.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.85 -54.38 11.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.466 -0.771 . . . . 0.0 110.232 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -69.72 -45.49 68.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.053 -1.029 . . . . 0.0 109.212 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.22 -30.51 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.98 68.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.232 -0.917 . . . . 0.0 109.08 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.95 -51.15 14.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.728 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.71 -51.03 68.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.871 . . . . 0.0 109.295 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.43 63.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.985 -1.072 . . . . 0.0 110.083 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.7 65.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 109.8 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -66.51 -53.92 29.64 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.283 -0.886 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.4 -34.66 58.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.6 tp -60.45 -23.73 64.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.139 -0.975 . . . . 0.0 108.441 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.19 29.37 1.65 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.626 HH21 ' NH2' ' A' ' 29' ' ' ARG . 24.6 mtm180 -143.8 -114.24 0.1 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -1.044 . . . . 0.0 109.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.723 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 58.69 39.95 23.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.661 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -146.81 13.66 1.17 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.408 -0.808 . . . . 0.0 109.372 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.461 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 24.6 Cg_exo -50.31 -44.51 38.51 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.048 1.165 . . . . 0.0 111.702 -177.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -70.63 -35.24 72.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.581 -1.324 . . . . 0.0 108.511 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 tp -69.39 -50.72 43.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.692 -0.63 . . . . 0.0 109.635 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.7 p -54.37 -41.92 69.72 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 108.269 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.499 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.3 -41.09 85.97 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -29.72 68.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.294 -0.879 . . . . 0.0 109.636 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.87 -54.62 8.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 110.11 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.31 -44.99 81.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.127 -0.983 . . . . 0.0 109.243 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -54.43 -31.02 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.65 66.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 109.222 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.05 -39.63 60.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.357 -0.839 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.88 -44.29 49.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.158 -0.964 . . . . 0.0 108.617 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.94 88.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.155 -0.966 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.34 -53.36 53.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.075 -1.016 . . . . 0.0 109.741 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -51.3 70.35 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.239 -0.913 . . . . 0.0 108.845 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 tt -53.36 -29.38 34.01 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -63.74 -24.29 67.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.39 -36.65 69.8 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 34.5 mtm180 -60.75 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.094 -1.239 . . . . 0.0 109.89 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.784 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.4 49.73 4.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.439 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.3 m-80 -147.73 21.83 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.392 -0.818 . . . . 0.0 109.244 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' C ' ' H ' ' A' ' 4' ' ' ALA . 5.4 Cg_exo -62.43 -157.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.039 1.159 . . . . 0.0 109.506 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.64 -41.45 0.82 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -65.23 -179.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -1.149 . . . . 0.0 109.479 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 mt -135.35 71.88 66.24 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 121.598 -0.689 . . . . 0.0 109.179 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -62.33 136.26 58.66 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 120.8 1.0 . . . . 0.0 109.529 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -164.41 34.22 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 108.988 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 24.7 p90 -147.38 18.73 1.2 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.196 -0.94 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.14 -43.38 4.51 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.189 -0.944 . . . . 0.0 111.155 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 18.3 Cg_exo -53.98 -43.71 55.79 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.113 1.209 . . . . 0.0 111.931 -178.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.5 p-90 -70.3 -32.06 69.66 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.46 -1.4 . . . . 0.0 108.469 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.9 tp -70.73 -50.99 30.29 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 m -56.13 -40.85 74.42 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.24 69.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.27 -54.62 7.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.292 -0.88 . . . . 0.0 109.898 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.6 -46.09 80.66 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 0.0 109.375 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.7 t -54.49 -30.49 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.54 -37.02 68.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.142 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.91 -51.06 17.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.165 -0.959 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.88 -51.62 67.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.896 . . . . 0.0 108.978 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.39 59.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.894 -1.129 . . . . 0.0 109.994 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.85 -49.1 66.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.092 -1.005 . . . . 0.0 109.797 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -68.32 -53.57 23.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.184 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.36 -32.81 51.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.942 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.39 -24.08 64.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.955 . . . . 0.0 108.502 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.72 95.45 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.623 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.8 mtm180 -68.53 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -1.076 . . . . 0.0 109.599 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.712 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 58.09 39.71 25.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.66 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.14 16.58 1.72 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.61 40.12 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.309 -0.87 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -54.23 4.06 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 N-CA-C 109.588 -0.966 . . . . 0.0 109.588 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.37 62.45 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.78 149.31 50.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.296 -1.12 . . . . 0.0 109.494 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -135.24 72.35 66.24 Favored Pre-proline 0 N--CA 1.504 2.235 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.32 118.07 4.95 Favored 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 120.788 0.992 . . . . 0.0 109.79 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 p -140.39 19.98 2.39 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -156.79 27.57 0.32 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.547 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.71 -43.65 1.55 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 111.184 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.83 -43.21 53.11 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.856 1.037 . . . . 0.0 111.553 -177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.3 p-90 -70.55 -36.39 73.65 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.495 -1.378 . . . . 0.0 108.251 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.33 -50.48 53.11 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.53 -41.41 66.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.094 -1.004 . . . . 0.0 108.343 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.07 81.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.46 69.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.65 10.85 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 0.0 110.073 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.93 -45.24 74.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.152 -0.968 . . . . 0.0 109.109 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.48 -30.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.92 68.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 108.985 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -51.21 21.73 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 109.386 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.55 -51.51 68.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.927 . . . . 0.0 108.682 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.35 67.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.061 -1.024 . . . . 0.0 109.717 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.29 62.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 109.751 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -65.25 -53.68 40.63 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.55 -36.31 61.68 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.74 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.79 -24.05 65.5 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.62 -40.36 95.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.625 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.3 mtm180 -64.77 -113.01 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.29 -1.124 . . . . 0.0 109.471 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.737 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.9 mmp_? 57.88 39.34 26.88 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.669 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.61 17.06 1.65 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.6 mt -70.62 152.15 44.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.437 -0.789 . . . . 0.0 109.325 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -62.78 -30.78 78.28 Favored 'Trans proline' 0 C--N 1.323 -0.776 0 C-N-CA 120.963 1.109 . . . . 0.0 109.475 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.47 14.98 44.42 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -75.92 0.07 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -1.168 . . . . 0.0 109.367 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.4 mt -85.39 147.83 48.05 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.122 -0.986 . . . . 0.0 108.469 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -59.98 176.55 0.69 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 N-CA-C 109.595 -0.964 . . . . 0.0 109.595 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.2 m -166.27 -43.01 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.401 -0.812 . . . . 0.0 109.324 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 12.5 p90 -94.39 17.71 12.48 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.414 -0.804 . . . . 0.0 109.103 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.533 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.2 -43.95 13.26 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 111.521 -179.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.6 Cg_exo -51.33 -45.44 37.22 Favored 'Trans proline' 0 C--N 1.321 -0.873 0 C-N-CA 121.05 1.167 . . . . 0.0 112.013 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.2 p-90 -70.28 -35.29 73.63 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.491 -1.381 . . . . 0.0 108.349 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.53 -50.47 51.75 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -53.6 -42.02 67.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.048 -1.033 . . . . 0.0 108.357 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.64 85.2 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -29.68 69.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.322 -0.861 . . . . 0.0 109.496 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.49 8.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 0.0 109.927 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.77 -45.81 81.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.118 -0.989 . . . . 0.0 109.122 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.43 -30.36 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.29 68.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 108.981 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.75 -51.25 19.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.37 -51.24 70.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.247 -0.908 . . . . 0.0 108.576 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.77 72.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.146 -0.971 . . . . 0.0 109.661 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.75 54.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.974 . . . . 0.0 110.039 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -64.46 -53.59 45.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.895 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.68 -36.7 62.46 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.84 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.14 -24.05 64.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.083 -1.01 . . . . 0.0 108.433 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.01 -38.27 95.26 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.627 HH21 ' NH2' ' A' ' 29' ' ' ARG . 31.8 mtm180 -69.57 -117.32 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.426 -1.044 . . . . 0.0 109.517 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.2 42.0 4.22 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.598 0.714 . . . . 0.0 109.094 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 20.6 m-80 -141.99 15.69 2.1 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.0 mt -71.88 100.81 2.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -62.42 -157.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 121.003 1.135 . . . . 0.0 109.58 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.61 -46.61 0.06 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.17 73.17 0.38 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.357 -1.084 . . . . 0.0 109.902 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.59 -43.38 50.95 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 110.627 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 4.5 Cg_exo -67.5 162.74 37.7 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 N-CA-C 109.665 -0.937 . . . . 0.0 109.665 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -164.35 31.79 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.244 -0.91 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 29.6 p90 -150.18 18.4 0.86 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.049 -1.032 . . . . 0.0 109.643 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -77.09 -43.09 2.72 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 120.997 -1.064 . . . . 0.0 111.03 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.2 Cg_exo -52.4 -43.59 53.13 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 120.991 1.128 . . . . 0.0 111.696 -178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.7 p-90 -70.55 -33.16 70.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.526 -1.359 . . . . 0.0 108.343 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.41 -50.34 39.5 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 109.163 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.43 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.062 -1.024 . . . . 0.0 108.325 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.91 79.71 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -29.29 66.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.48 -54.64 8.71 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.32 -0.862 . . . . 0.0 110.157 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.71 -44.55 77.43 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.05 -1.031 . . . . 0.0 109.229 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -54.31 -30.41 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.69 68.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.033 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.81 -51.14 14.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.278 -0.888 . . . . 0.0 109.647 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.23 -51.01 70.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 0.0 108.976 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -48.62 65.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.609 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -66.69 -52.79 40.65 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.143 -0.973 . . . . 0.0 108.968 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.16 -29.44 31.47 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.133 0.492 . . . . 0.0 109.942 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.43 -23.9 64.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.081 -1.012 . . . . 0.0 108.668 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.48 88.98 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.597 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.9 mtm180 -61.45 -112.41 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 109.652 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.719 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 57.76 39.65 26.96 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.662 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -144.9 6.19 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.25 119.74 15.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.459 -0.775 . . . . 0.0 109.254 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.87 7.81 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 121.117 1.211 . . . . 0.0 109.865 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.64 53.64 0.29 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.96 -82.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.802 -0.822 . . . . 0.0 110.352 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 3' ' ' GLY . 40.5 mt -133.47 73.92 72.3 Favored Pre-proline 0 N--CA 1.505 2.316 0 O-C-N 121.287 -0.883 . . . . 0.0 109.292 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -60.81 103.53 0.23 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 120.954 1.103 . . . . 0.0 109.791 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.7 m -107.54 -28.33 9.85 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.568 -0.708 . . . . 0.0 110.011 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 21.0 p90 -97.27 11.76 35.35 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.23 -43.52 12.85 Favored Pre-proline 0 C--N 1.298 -1.644 0 O-C-N 121.202 -0.936 . . . . 0.0 111.313 -179.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.3 Cg_exo -51.43 -45.48 37.21 Favored 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 120.874 1.049 . . . . 0.0 111.932 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.1 p-90 -70.69 -37.05 73.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.42 -1.425 . . . . 0.0 108.459 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.03 -50.75 53.48 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.08 -42.13 65.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 108.37 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.1 -41.13 86.8 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.92 -29.57 68.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.65 8.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 110.191 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -67.08 -44.94 78.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 109.178 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -54.39 -30.33 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.645 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.66 67.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.0 109.205 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.27 -51.23 18.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.18 -0.95 . . . . 0.0 109.482 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.56 -50.98 71.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 108.75 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.44 69.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.028 -1.045 . . . . 0.0 109.927 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.54 -53.17 24.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -61.47 -52.49 64.32 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.079 -1.013 . . . . 0.0 108.989 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tt -53.07 -29.29 29.36 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.784 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.09 -24.02 62.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.992 . . . . 0.0 108.752 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.01 87.84 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.607 HH21 ' NH2' ' A' ' 29' ' ' ARG . 34.0 mtm180 -63.33 -117.14 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -1.101 . . . . 0.0 109.486 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.1 mmp_? 64.05 37.71 9.0 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 9.5 m-80 -131.87 26.85 4.63 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.6 136.07 43.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.28 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.4 Cg_endo -63.36 0.13 1.98 Allowed 'Trans proline' 0 C--N 1.323 -0.797 0 C-N-CA 121.019 1.146 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . -75.14 22.52 1.54 Allowed Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -76.98 -16.14 59.43 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.166 -1.196 . . . . 0.0 109.574 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.8 mt 54.44 68.19 2.86 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.403 -0.811 . . . . 0.0 109.888 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.69 179.69 0.66 Allowed 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 120.986 1.124 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.9 m -165.6 -42.07 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.338 -0.851 . . . . 0.0 109.74 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.483 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 10.6 p90 -95.72 16.4 17.51 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.32 -0.863 . . . . 0.0 109.269 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.555 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -71.89 -43.52 10.97 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.154 -0.966 . . . . 0.0 111.367 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 19.5 Cg_exo -53.68 -44.2 51.2 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.156 1.237 . . . . 0.0 111.882 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 6.7 p-90 -70.53 -34.21 72.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.548 -1.345 . . . . 0.0 108.52 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.88 -50.48 41.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.524 -0.735 . . . . 0.0 109.603 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.003 -1.06 . . . . 0.0 108.414 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.13 84.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.61 -29.25 67.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.263 -0.898 . . . . 0.0 109.398 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.66 -54.72 12.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.1 -45.45 66.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.045 -1.034 . . . . 0.0 109.307 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.25 -30.63 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.83 68.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.006 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.03 34.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.217 -0.927 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.89 -51.08 59.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.302 -0.874 . . . . 0.0 109.261 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.96 65.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.087 -1.008 . . . . 0.0 109.868 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -51.9 51.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.109 -0.994 . . . . 0.0 109.612 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -63.26 -54.38 38.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.985 0.898 . . . . 0.0 109.01 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.67 -38.77 64.51 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.859 -0.526 . . . . 0.0 109.667 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.47 -23.98 63.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 0.0 108.874 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.71 -33.84 87.16 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 30.2 mtm180 -74.43 -116.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.242 -1.152 . . . . 0.0 109.949 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.8 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.35 46.16 4.57 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 8.4 m-80 -147.76 5.51 0.79 Allowed 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.2 159.63 33.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.422 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -60.38 -153.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 121.049 1.166 . . . . 0.0 109.572 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.24 -70.28 1.74 Allowed Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.14 28.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.177 -1.19 . . . . 0.0 109.685 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp 52.66 70.1 2.03 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.321 -0.862 . . . . 0.0 109.064 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -60.4 162.69 16.8 Favored 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 120.938 1.092 . . . . 0.0 109.817 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.4 p -148.16 26.26 0.98 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.219 -0.926 . . . . 0.0 109.17 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.488 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 16.6 p90 -140.98 19.49 2.29 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.34 -43.47 5.7 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.368 -0.832 . . . . 0.0 111.166 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.8 Cg_exo -54.07 -43.78 55.2 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.151 1.234 . . . . 0.0 111.991 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.488 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.21 -33.52 71.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.49 -1.381 . . . . 0.0 108.375 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -69.23 -50.63 45.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 m -55.64 -42.49 75.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.032 -1.043 . . . . 0.0 108.304 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.88 84.55 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.34 69.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.73 -54.72 12.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 110.084 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -68.93 -45.99 69.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.021 -1.049 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -54.61 -31.37 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 0.0 108.673 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.93 67.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.253 -0.905 . . . . 0.0 108.941 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.06 -51.08 23.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.01 -43.8 86.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.0 109.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.02 78.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.067 -1.02 . . . . 0.0 109.94 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -53.35 14.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -60.55 -50.56 73.07 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.187 0.994 . . . . 0.0 108.668 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.02 -29.2 28.11 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -60.36 -26.13 66.38 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.8 96.81 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.636 HH21 ' NH2' ' A' ' 29' ' ' ARG . 30.8 mtm180 -65.75 -119.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -1.161 . . . . 0.0 109.714 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.688 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 65.32 40.92 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 18.9 m-80 -140.28 16.81 2.41 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.3 19.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.883 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -63.31 -158.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 120.99 1.126 . . . . 0.0 109.435 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.16 -66.56 0.18 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.42 -43.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.259 -1.142 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.8 mt -136.11 70.49 62.71 Favored Pre-proline 0 N--CA 1.505 2.309 0 O-C-N 121.548 -0.72 . . . . 0.0 109.106 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.52 -175.45 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 120.866 1.044 . . . . 0.0 109.621 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -159.84 30.51 0.18 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.273 -0.892 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 25.6 p90 -150.27 19.75 0.85 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.215 -0.928 . . . . 0.0 109.317 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.562 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.41 -42.86 4.18 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.141 -0.974 . . . . 0.0 111.223 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.6 -44.35 48.12 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.892 1.061 . . . . 0.0 111.671 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.61 -32.75 70.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.487 -1.383 . . . . 0.0 108.305 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 tp -71.47 -50.61 29.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.689 . . . . 0.0 109.2 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.9 t -54.26 -41.04 68.35 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.039 -1.038 . . . . 0.0 108.204 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.12 -40.98 78.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.14 76.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.92 . . . . 0.0 109.758 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.61 7.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.361 -0.837 . . . . 0.0 109.884 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.84 -34.22 72.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.357 -0.839 . . . . 0.0 109.474 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.8 t -66.75 -31.18 52.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.45 67.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 109.102 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.02 -50.52 19.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.236 -0.915 . . . . 0.0 109.508 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.18 -47.05 84.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.177 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.17 -30.83 66.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.34 -52.88 22.94 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.408 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.3 -50.86 71.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 122.184 0.992 . . . . 0.0 108.479 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 25' ' ' LEU . 4.9 tt -53.19 -46.69 69.09 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 tp -54.03 -23.51 13.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.952 . . . . 0.0 109.019 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.66 70.49 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.6 mtm180 -69.64 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.221 -1.164 . . . . 0.0 109.827 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.756 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.09 50.48 4.01 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.449 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.0 m-80 -147.42 24.3 1.12 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.68 -11.36 60.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 109.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -62.45 -157.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.08 1.186 . . . . 0.0 109.436 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.72 10.6 38.75 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.55 76.68 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -1.121 . . . . 0.0 109.408 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.65 147.64 87.03 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.134 -0.979 . . . . 0.0 108.448 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -58.01 158.16 22.36 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 109.526 -0.99 . . . . 0.0 109.526 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.4 p -146.51 23.37 1.28 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.313 -0.867 . . . . 0.0 109.205 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -156.26 26.66 0.35 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.273 -0.892 . . . . 0.0 108.901 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -81.58 -44.04 1.1 Allowed Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.078 -1.014 . . . . 0.0 110.892 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.8 Cg_exo -52.72 -41.9 66.41 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 120.866 1.044 . . . . 0.0 111.569 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.3 p-90 -70.62 -33.64 71.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.574 -1.329 . . . . 0.0 108.196 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -70.65 -50.45 36.65 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.18 -41.36 71.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.042 -1.036 . . . . 0.0 108.369 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.28 78.52 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.46 67.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 109.422 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -54.62 9.48 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.388 -0.82 . . . . 0.0 110.196 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.22 -44.74 75.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.023 -1.048 . . . . 0.0 109.261 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.21 -30.37 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.85 68.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 0.0 109.017 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.98 -51.16 14.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.92 -51.57 68.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.36 -0.837 . . . . 0.0 108.884 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.48 65.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.082 -1.011 . . . . 0.0 109.988 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.32 23.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.159 -0.963 . . . . 0.0 109.828 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -59.85 -51.79 68.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 108.796 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.03 -29.17 28.11 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.535 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.21 -24.79 63.44 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.447 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.48 85.38 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.8 mtm180 -62.89 -113.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -1.193 . . . . 0.0 109.956 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.814 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.13 47.8 4.01 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -178.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 7.7 m-80 -148.28 12.8 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.06 -58.35 3.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -61.94 -24.86 77.4 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.92 1.08 . . . . 0.0 109.47 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.84 75.23 0.45 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.82 121.52 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.261 -1.14 . . . . 0.0 109.434 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt 52.78 69.42 2.36 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.942 . . . . 0.0 109.644 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -59.11 157.15 30.9 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 120.947 1.098 . . . . 0.0 109.672 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.1 m -128.2 -20.64 3.71 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.659 -0.65 . . . . 0.0 110.451 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 22.2 p90 -96.94 13.12 29.94 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.004 -1.06 . . . . 0.0 109.334 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.542 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -70.62 -43.78 16.19 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.201 -0.937 . . . . 0.0 111.308 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.8 Cg_exo -53.23 -44.5 48.39 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.072 1.181 . . . . 0.0 111.951 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.2 p-90 -70.48 -38.38 74.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.46 -1.4 . . . . 0.0 108.443 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -66.64 -50.32 63.35 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.611 -0.68 . . . . 0.0 109.286 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.57 -39.87 68.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.046 -1.034 . . . . 0.0 108.365 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.71 78.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.63 67.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.196 -0.94 . . . . 0.0 109.337 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.84 -54.58 8.42 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.4 -0.812 . . . . 0.0 110.251 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.75 -44.35 81.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.983 -1.073 . . . . 0.0 109.19 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.36 -30.34 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.34 -35.42 68.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 108.936 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.42 -51.4 13.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.77 -44.84 96.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 108.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.77 77.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 109.572 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -49.06 66.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -67.5 -53.04 32.13 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.191 -0.943 . . . . 0.0 108.941 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.55 -34.56 58.72 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.844 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.05 -23.96 64.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 108.557 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.63 90.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.538 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 31.2 mtm180 -69.03 -114.91 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.162 -1.199 . . . . 0.0 109.839 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.798 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 63.25 47.22 4.14 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 8.1 m-80 -148.04 3.56 0.71 Allowed 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.83 149.67 43.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.338 -0.851 . . . . 0.0 109.236 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -58.62 -159.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.669 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.65 -42.9 0.08 OUTLIER Glycine 0 N--CA 1.502 3.081 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.29 -11.09 59.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.17 -1.194 . . . . 0.0 109.253 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp 53.32 69.8 2.11 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.378 -0.826 . . . . 0.0 109.044 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.66 170.15 11.71 Favored 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 120.866 1.044 . . . . 0.0 109.429 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -147.32 23.61 1.16 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.287 -0.883 . . . . 0.0 109.416 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 14.3 p90 -161.98 20.99 0.11 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.151 -0.968 . . . . 0.0 109.946 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.568 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -77.88 -41.89 2.19 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.895 . . . . 0.0 111.205 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.4 Cg_exo -53.58 -44.79 46.0 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 120.937 1.092 . . . . 0.0 111.429 -177.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 10.3 p-90 -70.73 -32.49 69.7 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.61 -1.306 . . . . 0.0 108.397 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.67 -50.79 32.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.647 -0.658 . . . . 0.0 109.596 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 24.2 p -55.18 -41.23 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.905 -1.122 . . . . 0.0 108.241 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -68.37 -39.49 81.75 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.61 68.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.893 . . . . 0.0 109.733 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.24 -54.54 10.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.403 -0.811 . . . . 0.0 110.106 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.94 -45.64 73.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 109.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.43 -30.72 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.58 -37.14 68.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.168 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.49 -51.11 18.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.154 -0.966 . . . . 0.0 109.649 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -0.884 . . . . 0.0 109.076 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.39 96.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.112 -0.993 . . . . 0.0 109.908 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.75 -52.84 61.65 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.156 -0.965 . . . . 0.0 109.913 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -62.17 -51.8 66.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.157 -0.965 . . . . 0.0 108.923 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 tt -53.34 -29.59 34.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.738 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.83 -24.03 65.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 108.8 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.51 86.31 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.537 HH21 ' NH2' ' A' ' 29' ' ' ARG . 35.7 mtm180 -61.47 -112.04 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.252 -1.146 . . . . 0.0 109.621 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.725 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.2 mmp_? 57.85 39.77 26.57 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.664 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -143.26 22.48 1.87 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.6 155.97 40.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.469 -0.769 . . . . 0.0 109.314 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' C ' ' H ' ' A' ' 4' ' ' ALA . 3.3 Cg_exo -62.55 -42.97 23.88 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.021 1.148 . . . . 0.0 109.6 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 5' ' ' LEU . . . 71.37 -9.46 4.36 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -67.52 2.7 1.64 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -1.157 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 3' ' ' GLY . 51.2 mt -127.13 79.24 73.35 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -57.11 156.4 24.79 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 120.748 0.965 . . . . 0.0 109.908 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -146.47 24.95 1.23 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.384 -0.822 . . . . 0.0 109.071 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 1.2 p90 -149.97 26.13 0.81 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.299 -0.876 . . . . 0.0 108.795 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.553 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -80.35 -43.88 1.38 Allowed Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.176 -0.952 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 22.0 Cg_exo -52.74 -42.64 61.6 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 121.002 1.134 . . . . 0.0 111.391 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.7 p-90 -70.53 -33.82 71.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.631 -1.293 . . . . 0.0 108.252 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.15 -50.63 38.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.671 -0.643 . . . . 0.0 109.371 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.14 -42.92 73.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.028 -1.045 . . . . 0.0 108.433 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.09 85.6 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.25 -29.37 67.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.509 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.78 11.93 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.346 -0.846 . . . . 0.0 110.145 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.12 -45.09 67.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.064 . . . . 0.0 109.393 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.0 t -54.36 -30.41 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.71 67.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.136 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.05 14.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.19 -0.944 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.96 -51.02 68.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 109.208 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.03 51.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.955 -1.09 . . . . 0.0 110.201 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.22 66.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.245 -0.909 . . . . 0.0 109.811 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -66.71 -53.81 29.54 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.233 -0.917 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.38 -34.11 56.36 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.86 -24.24 64.07 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.58 96.7 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.633 HH21 ' NH2' ' A' ' 29' ' ' ARG . 32.1 mtm180 -69.47 -114.44 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.338 -1.095 . . . . 0.0 109.512 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.752 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 3.8 mmp_? 57.81 16.01 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.747 0.784 . . . . 0.0 109.032 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.844 HD22 ' H ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -89.0 -19.11 26.09 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.83 1.12 5.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.684 -0.635 . . . . 0.0 109.511 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.2 Cg_endo -64.16 2.03 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 121.033 1.156 . . . . 0.0 109.634 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . 75.43 -18.05 2.99 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -64.65 -108.62 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.174 . . . . 0.0 109.168 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.6 mt 53.05 69.78 2.15 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.913 -1.117 . . . . 0.0 109.802 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.45 169.35 2.34 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.98 1.12 . . . . 0.0 109.652 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 p -90.42 -11.19 41.16 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.246 -0.909 . . . . 0.0 108.939 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 42.4 p90 -159.46 130.42 5.96 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.625 ' H ' ' HD2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -170.59 -46.86 0.0 OUTLIER Pre-proline 0 C--N 1.292 -1.898 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.7 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.625 ' HD2' ' H ' ' A' ' 9' ' ' TRP . 10.3 Cg_exo -60.54 -36.31 86.53 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.396 -1.04 . . . . 0.0 109.396 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.9 p-90 -70.64 -35.01 72.69 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 7.3 tt -70.08 -50.39 41.48 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.7 t -55.26 -41.1 71.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.975 -1.078 . . . . 0.0 108.344 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.79 77.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -29.31 67.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.936 . . . . 0.0 109.348 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.7 -54.65 9.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.382 -0.823 . . . . 0.0 110.181 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.52 -45.03 73.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.102 -0.999 . . . . 0.0 109.309 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -54.28 -30.26 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.68 68.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.0 109.026 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -51.11 14.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.7 -51.61 67.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 108.961 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.45 -33.22 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.971 -1.08 . . . . 0.0 110.026 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.82 -49.72 64.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.11 -0.994 . . . . 0.0 109.701 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -67.32 -53.78 26.64 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.084 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.23 -33.89 54.79 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.098 0.475 . . . . 0.0 109.863 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.98 -24.1 65.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 108.36 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.4 93.99 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.63 HH21 ' NH2' ' A' ' 29' ' ' ARG . 33.5 mtm180 -67.32 -116.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.383 -1.069 . . . . 0.0 109.613 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.686 ' HE ' ' N ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 65.42 42.45 3.82 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.634 0.731 . . . . 0.0 109.037 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 23.6 m-80 -144.38 2.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.73 142.64 51.43 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.422 -0.799 . . . . 0.0 109.239 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.69 -160.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.769 0 C-N-CA 121.035 1.157 . . . . 0.0 109.46 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.45 32.13 0.23 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.93 0.26 43.68 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.42 -1.047 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.23 -43.73 56.08 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.253 -0.904 . . . . 0.0 110.716 -179.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 6.1 Cg_exo -66.4 -178.86 1.28 Allowed 'Trans proline' 0 CA--C 1.539 0.743 0 N-CA-C 109.68 -0.931 . . . . 0.0 109.68 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -168.87 32.76 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 109.731 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 27.5 p90 -147.58 18.08 1.16 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.128 -0.982 . . . . 0.0 109.318 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.4 -42.92 4.2 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.146 -0.971 . . . . 0.0 111.259 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.6 Cg_exo -52.68 -44.16 49.88 Favored 'Trans proline' 0 C--N 1.322 -0.852 0 C-N-CA 120.892 1.061 . . . . 0.0 111.68 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.7 p-90 -70.94 -36.21 72.54 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.545 -1.347 . . . . 0.0 108.617 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 12' ' ' LEU . 5.1 tt -69.64 -51.9 30.66 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -52.79 -41.52 64.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.02 -1.05 . . . . 0.0 108.568 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.29 77.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.41 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.265 -0.897 . . . . 0.0 109.418 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -54.61 9.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.166 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -67.62 -44.92 76.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.025 -1.047 . . . . 0.0 109.274 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.29 -30.31 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.252 -0.905 . . . . 0.0 108.619 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -36.03 68.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.085 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.3 -51.23 13.72 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 0.0 109.654 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -51.41 69.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.0 108.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.18 -35.22 59.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 110.06 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.0 -53.26 33.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.152 -0.968 . . . . 0.0 109.589 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.4 -52.02 67.41 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.278 -0.889 . . . . 0.0 108.892 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.03 -29.11 27.82 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.303 0.573 . . . . 0.0 109.515 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.47 -24.23 63.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.409 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.41 -40.4 60.24 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' C ' HD22 ' A' ' 30' ' ' ASN . 40.4 mtm180 -57.55 -103.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.034 -1.274 . . . . 0.0 110.238 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.79 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 55.9 56.05 6.4 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.5 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.688 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -155.09 14.97 0.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.1 mt -69.78 145.73 51.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 109.279 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 4' ' ' ALA . 2.1 Cg_endo -64.17 1.99 1.33 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.09 1.193 . . . . 0.0 109.648 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 1' ' ' ALA . . . -63.07 79.79 0.03 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . -158.9 -29.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.332 -1.099 . . . . 0.0 109.396 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt 52.7 69.64 2.26 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.52 150.01 87.16 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.901 1.068 . . . . 0.0 109.477 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 t -171.55 36.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.932 . . . . 0.0 109.878 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 13.8 p90 -144.16 17.0 1.73 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.188 -0.945 . . . . 0.0 109.394 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.557 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.71 -42.83 4.97 Favored Pre-proline 0 C--N 1.298 -1.647 0 O-C-N 121.453 -0.779 . . . . 0.0 111.101 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 17.4 Cg_exo -54.5 -44.4 49.89 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 121.035 1.157 . . . . 0.0 111.898 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.9 p-90 -70.17 -32.77 70.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.456 -1.402 . . . . 0.0 108.459 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.83 -50.86 38.62 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -56.13 -40.25 73.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.033 . . . . 0.0 108.256 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.42 78.03 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.71 -29.68 68.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 109.545 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.61 8.58 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.364 -0.835 . . . . 0.0 110.074 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -67.12 -44.6 79.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.107 -0.996 . . . . 0.0 109.29 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.22 -30.38 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 108.6 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.38 -38.41 68.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.244 -0.91 . . . . 0.0 109.133 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.16 16.97 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.184 -0.948 . . . . 0.0 109.665 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.77 -51.57 69.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 108.855 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -30.91 33.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.247 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.2 62.36 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.059 -1.026 . . . . 0.0 109.796 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -69.9 -53.55 17.48 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.262 -0.899 . . . . 0.0 109.228 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.12 -30.51 37.03 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.894 -0.503 . . . . 0.0 109.948 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.7 -23.83 65.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.136 -0.977 . . . . 0.0 108.521 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.81 -39.31 85.81 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 33.1 mtm180 -63.1 -114.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 0.0 109.836 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.801 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 64.14 28.44 14.11 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 1.7 m-80 -115.61 -50.65 2.7 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.7 mt 45.06 -152.97 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.842 -0.536 . . . . 0.0 110.759 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.92 -1.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -62.12 -156.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 121.025 1.15 . . . . 0.0 109.63 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.17 55.47 18.64 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.93 96.15 1.25 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -1.105 . . . . 0.0 109.585 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.9 mt -134.32 60.24 42.35 Favored Pre-proline 0 N--CA 1.504 2.25 0 O-C-N 121.678 -0.639 . . . . 0.0 109.42 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -51.2 -68.06 0.09 OUTLIER 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 120.986 1.124 . . . . 0.0 110.735 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.6 m -165.32 -70.85 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.764 -1.21 . . . . 0.0 110.925 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.477 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 21.5 p90 -96.9 16.44 19.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.095 -1.003 . . . . 0.0 109.992 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.564 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -73.39 -42.08 6.51 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 111.27 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 21.9 Cg_exo -52.94 -44.78 45.86 Favored 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 121.026 1.151 . . . . 0.0 111.896 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.1 p-90 -70.55 -33.55 71.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.47 -1.394 . . . . 0.0 108.373 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.78 -50.57 41.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.668 -0.645 . . . . 0.0 109.39 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.1 p -55.07 -42.96 73.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.925 -1.11 . . . . 0.0 108.324 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -66.41 -39.44 88.98 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.95 -29.52 68.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.414 -0.804 . . . . 0.0 109.719 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' HB3' HE22 ' A' ' 17' ' ' GLN . . . -71.35 -54.67 9.98 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' NE2' ' N ' ' A' ' 17' ' ' GLN . 2.0 mp0 -66.05 -48.27 71.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.03 -1.044 . . . . 0.0 108.662 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.89 -31.24 20.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.97 67.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.118 -0.989 . . . . 0.0 109.131 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.75 -51.4 14.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.142 -0.974 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.9 tp -61.07 -43.93 98.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 109.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.99 94.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 0.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.93 -53.68 50.38 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.68 -50.93 71.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.0 108.922 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.22 -29.08 30.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.333 0.587 . . . . 0.0 109.606 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -61.84 -24.15 66.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.08 31.18 2.59 Favored Glycine 0 N--CA 1.496 2.668 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.512 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 28.4 mtm180 -134.89 -101.9 0.23 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.514 -0.992 . . . . 0.0 109.417 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.778 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 61.76 55.02 2.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.0 m-80 -151.09 21.8 0.76 Allowed 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.78 -149.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.382 -0.824 . . . . 0.0 109.386 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.824 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' C ' ' H ' ' A' ' 4' ' ' ALA . 4.3 Cg_exo -62.08 -20.15 68.79 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 120.906 1.071 . . . . 0.0 109.603 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.92 41.44 0.86 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -170.39 97.53 0.26 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -1.168 . . . . 0.0 109.429 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.545 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -66.57 -43.37 51.16 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 110.551 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 5' ' ' LEU . 3.9 Cg_exo -67.77 176.16 5.47 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 120.662 0.908 . . . . 0.0 109.759 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 t -167.05 34.96 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.297 -0.877 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -155.37 28.0 0.4 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.26 -0.9 . . . . 0.0 108.784 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.76 -43.32 1.53 Allowed Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.223 -0.923 . . . . 0.0 111.19 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -51.9 -43.27 53.07 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.892 1.061 . . . . 0.0 111.617 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.5 p-90 -70.49 -38.83 74.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.502 -1.373 . . . . 0.0 108.17 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 41.8 tp -65.32 -50.23 66.44 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 51.4 t -53.15 -45.16 68.29 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.965 -1.084 . . . . 0.0 108.284 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.6 94.44 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -29.3 68.26 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.738 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -54.67 11.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.119 -0.988 . . . . 0.0 110.196 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 13' ' ' CYS . 16.2 mp0 -67.78 -47.07 70.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.847 -1.158 . . . . 0.0 108.743 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -53.96 -30.96 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.76 -36.09 67.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.0 108.911 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.37 -51.27 17.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.92 -48.75 80.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.302 -0.873 . . . . 0.0 108.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.07 82.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.207 -0.933 . . . . 0.0 109.756 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.13 39.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.1 -1.0 . . . . 0.0 109.876 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -61.75 -53.44 55.95 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.716 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.7 -39.7 65.41 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.74 -23.73 66.35 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.65 -35.46 80.74 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.538 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 32.4 mtm180 -61.83 -112.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.145 -1.209 . . . . 0.0 109.752 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.807 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.47 47.97 4.81 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.2 m-80 -145.98 23.89 1.35 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.11 61.36 0.6 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.0 109.361 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 5.4 Cg_exo -65.77 -48.22 3.19 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 N-CA-C 109.525 -0.99 . . . . 0.0 109.525 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.32 -14.47 3.08 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -66.21 176.54 1.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' ALA . 18.5 mt 60.8 147.67 0.08 OUTLIER Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -55.23 -179.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.541 0.844 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.3 p -145.71 21.22 1.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.368 -0.832 . . . . 0.0 109.482 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 26.3 p90 -144.2 17.07 1.72 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.275 -0.89 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -75.46 -43.49 4.23 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 111.007 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 23.1 Cg_exo -52.02 -44.12 47.78 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.004 1.136 . . . . 0.0 111.715 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 8.4 p-90 -70.57 -33.47 71.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.435 -1.415 . . . . 0.0 108.307 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 tp -70.39 -50.37 39.39 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.579 -0.7 . . . . 0.0 109.118 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.2 t -55.02 -41.15 70.99 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.058 -1.026 . . . . 0.0 108.359 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.11 78.58 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.34 -29.36 67.59 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.378 -0.826 . . . . 0.0 109.42 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.28 -54.6 9.08 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.193 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.28 -45.03 77.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.165 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.32 -30.84 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.18 67.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 108.9 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -51.34 19.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.294 -0.879 . . . . 0.0 109.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.16 -45.04 90.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 108.963 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.94 71.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.689 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.53 -49.94 42.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.088 -1.007 . . . . 0.0 109.985 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -66.67 -52.93 39.23 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.215 -0.928 . . . . 0.0 109.168 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.23 -35.57 60.1 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.788 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.04 -23.84 64.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 0.0 108.455 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.46 -36.1 88.15 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.528 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 30.7 mtm180 -67.94 -114.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.215 -1.168 . . . . 0.0 109.782 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.801 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.96 47.03 4.5 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 7.5 m-80 -147.39 2.38 0.74 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.05 126.05 29.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.457 -0.777 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.521 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 6.0 Cg_exo -65.74 -158.2 0.04 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 N-CA-C 109.55 -0.981 . . . . 0.0 109.55 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.9 -60.08 0.07 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.91 163.5 19.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -1.164 . . . . 0.0 109.245 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.43 154.34 91.78 Favored Pre-proline 0 N--CA 1.495 1.787 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.56 152.65 53.86 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 N-CA-C 109.33 -1.065 . . . . 0.0 109.33 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -163.48 31.71 0.09 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.199 -0.938 . . . . 0.0 109.21 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 15.1 p90 -164.62 20.06 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.984 -1.072 . . . . 0.0 110.212 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.582 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -78.26 -41.25 1.95 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.306 -0.871 . . . . 0.0 111.124 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 20.5 Cg_exo -53.9 -44.68 47.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 120.866 1.044 . . . . 0.0 111.451 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.6 p-90 -70.78 -33.86 71.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.655 -1.278 . . . . 0.0 108.848 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' C ' HD23 ' A' ' 12' ' ' LEU . 5.4 tt -70.83 -52.14 22.29 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.57 -0.706 . . . . 0.0 109.569 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 23.2 p -54.18 -42.03 69.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.708 -1.245 . . . . 0.0 108.433 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.62 -39.1 84.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -29.33 66.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.85 -54.38 11.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.466 -0.771 . . . . 0.0 110.232 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -69.72 -45.49 68.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.053 -1.029 . . . . 0.0 109.212 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.22 -30.51 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.44 -35.98 68.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.232 -0.917 . . . . 0.0 109.08 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.95 -51.15 14.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.258 -0.901 . . . . 0.0 109.728 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.71 -51.03 68.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.871 . . . . 0.0 109.295 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.43 63.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.985 -1.072 . . . . 0.0 110.083 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.7 65.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 109.8 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -66.51 -53.92 29.64 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.283 -0.886 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.4 -34.66 58.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.6 tp -60.45 -23.73 64.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.139 -0.975 . . . . 0.0 108.441 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.19 29.37 1.65 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.626 HH21 ' NH2' ' A' ' 29' ' ' ARG . 24.6 mtm180 -143.8 -114.24 0.1 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -1.044 . . . . 0.0 109.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.723 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 4.0 mmp_? 58.69 39.95 23.84 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.661 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -146.81 13.66 1.17 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.0 mt -69.96 172.69 7.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.408 -0.808 . . . . 0.0 109.372 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 4' ' ' ALA . 2.5 Cg_endo -63.07 -74.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 121.004 1.136 . . . . 0.0 109.476 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.94 -2.47 4.87 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 5' ' ' LEU . . . -68.43 -47.81 66.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -1.126 . . . . 0.0 109.555 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' ALA . 8.7 mp 58.29 155.47 0.09 OUTLIER Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -59.36 154.19 48.74 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 N-CA-C 109.663 -0.937 . . . . 0.0 109.663 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -169.97 36.74 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.3 -0.875 . . . . 0.0 109.38 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -164.1 32.07 0.08 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -79.66 -43.65 1.57 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.153 -0.967 . . . . 0.0 111.461 -179.672 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 9' ' ' TRP . 24.6 Cg_exo -50.31 -44.51 38.51 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.048 1.165 . . . . 0.0 111.702 -177.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 9.0 p-90 -70.63 -35.24 72.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.581 -1.324 . . . . 0.0 108.511 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.4 tp -69.39 -50.72 43.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.692 -0.63 . . . . 0.0 109.635 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 14' ' ' ALA . 20.7 p -54.37 -41.92 69.72 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 108.269 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' N ' ' SG ' ' A' ' 13' ' ' CYS . . . -67.3 -41.09 85.97 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -29.72 68.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.294 -0.879 . . . . 0.0 109.636 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.87 -54.62 8.27 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 110.11 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.31 -44.99 81.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.127 -0.983 . . . . 0.0 109.243 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -54.43 -31.02 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.65 66.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 109.222 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.05 -39.63 60.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.357 -0.839 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.88 -44.29 49.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.158 -0.964 . . . . 0.0 108.617 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.94 88.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.155 -0.966 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.34 -53.36 53.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.075 -1.016 . . . . 0.0 109.741 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -51.3 70.35 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.239 -0.913 . . . . 0.0 108.845 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 tt -53.36 -29.38 34.01 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.434 0.635 . . . . 0.0 109.429 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -63.74 -24.29 67.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.39 -36.65 69.8 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 34.5 mtm180 -60.75 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.094 -1.239 . . . . 0.0 109.89 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.784 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 62.4 49.73 4.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.439 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 28' ' ' ARG . 5.3 m-80 -147.73 21.83 1.14 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.27 3.7 5.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.392 -0.818 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_