data_3bbg_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 3bbg _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 1.137 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 1.137 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.26 16.16 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 1.057 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p . . . . . 0 C--N 1.299 -1.591 0 O-C-N 121.57 -0.706 . . . . 1.09 109.577 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.836 0.351 . . . . 6.82 110.091 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t 45.93 60.13 3.34 Favored 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.863 0.839 . . . . 1.33 109.282 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 1.057 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.64 119.28 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.878 -0.601 . . . . 0.62 110.233 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CD2' HG23 ' A' ' 34' ' ' ILE . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HB2' HG13 ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.522 HG23 ' CD2' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 50.6 m-80 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 1.137 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 1.137 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.98 14.82 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 1.077 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p . . . . . 0 C--N 1.298 -1.643 0 CA-C-N 114.562 -1.199 . . . . 1.16 108.286 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.75 -0.833 . . . . 6.36 108.75 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t 49.66 61.12 3.33 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.18 -0.95 . . . . 1.55 111.371 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 1.077 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.26 119.28 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 118.332 -1.347 . . . . 0.62 110.233 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CD2' HG23 ' A' ' 34' ' ' ILE . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HB2' HG13 ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.522 HG23 ' CD2' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 50.6 m-80 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 1.137 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 1.137 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.26 16.16 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 1.057 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p -136.39 119.26 16.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.57 -0.706 . . . . 1.09 109.577 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -165.67 107.28 0.75 Allowed Pre-proline 0 N--CA 1.489 1.491 0 C-N-CA 119.632 -0.827 . . . . 11.41 111.293 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.97 -27.55 17.29 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 N-CA-C 108.652 -1.326 . . . . 40.0 108.652 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.9 tt -145.8 -52.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 109.114 -0.699 . . . . 40.0 109.114 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.04 -26.26 0.22 Allowed Glycine 0 N--CA 1.493 2.464 0 O-C-N 121.511 -0.743 . . . . 25.51 113.175 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 1.3 ptmt -49.7 -22.66 1.44 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.453 -1.027 . . . . 40.0 110.261 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.443 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 89.5 m-85 -98.54 -70.98 0.71 Allowed 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.681 -0.637 . . . . 6.82 110.091 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t 45.93 60.13 3.34 Favored 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.863 0.839 . . . . 1.33 109.282 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 1.057 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.64 119.28 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.878 -0.601 . . . . 0.62 110.233 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CD2' HG23 ' A' ' 34' ' ' ILE . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HB2' HG13 ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.522 HG23 ' CD2' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 50.6 m-80 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 1.137 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 1.137 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.98 14.82 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 1.077 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p -134.72 92.68 2.93 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 114.562 -1.199 . . . . 1.16 108.286 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 19' ' ' CYS . 81.7 p 176.59 137.09 0.2 Allowed Pre-proline 0 N--CA 1.498 1.928 0 CA-C-N 115.033 -0.985 . . . . 10.78 109.343 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -77.05 -42.27 0.32 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 N-CA-C 108.118 -1.532 . . . . 40.0 108.118 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.9 tt -138.35 -44.09 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.696 -1.224 . . . . 40.0 107.696 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.41 28.31 0.02 OUTLIER Glycine 0 N--CA 1.485 1.909 0 N-CA-C 115.061 0.784 . . . . 22.92 115.061 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -57.94 -23.2 52.5 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 120.065 1.932 . . . . 40.0 108.277 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -146.2 -39.81 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.75 -0.833 . . . . 6.36 108.75 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 20' ' ' SER . 11.8 t 49.66 61.12 3.33 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.18 -0.95 . . . . 1.55 111.371 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 1.077 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.26 119.28 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 118.332 -1.347 . . . . 0.62 110.233 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CD2' HG23 ' A' ' 34' ' ' ILE . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HB2' HG13 ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.522 HG23 ' CD2' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 50.6 m-80 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.188 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.26 16.16 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 1.057 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p . . . . . 0 C--N 1.299 -1.591 0 O-C-N 121.57 -0.706 . . . . 1.09 109.577 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.836 0.351 . . . . 6.82 110.091 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t 45.93 60.13 3.34 Favored 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.863 0.839 . . . . 1.33 109.282 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.057 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.64 119.28 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.878 -0.601 . . . . 0.62 110.233 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.847 ' CE1' HG12 ' A' ' 27' ' ' VAL . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' ' CG1' ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 15.1 m120 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.188 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.98 14.82 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 1.077 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p . . . . . 0 C--N 1.298 -1.643 0 CA-C-N 114.562 -1.199 . . . . 1.16 108.286 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.75 -0.833 . . . . 6.36 108.75 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t 49.66 61.12 3.33 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.18 -0.95 . . . . 1.55 111.371 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.077 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.26 119.28 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 118.332 -1.347 . . . . 0.62 110.233 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.847 ' CE1' HG12 ' A' ' 27' ' ' VAL . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' ' CG1' ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 15.1 m120 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.188 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.26 16.16 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 1.057 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p -136.39 119.26 16.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.57 -0.706 . . . . 1.09 109.577 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -165.67 107.28 0.75 Allowed Pre-proline 0 N--CA 1.489 1.491 0 C-N-CA 119.632 -0.827 . . . . 11.41 111.293 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.97 -27.55 17.29 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 N-CA-C 108.652 -1.326 . . . . 40.0 108.652 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG23 ' H ' ' A' ' 23' ' ' GLY . 7.9 tt -145.8 -52.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 109.114 -0.699 . . . . 40.0 109.114 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' H ' HG23 ' A' ' 22' ' ' ILE . . . 163.04 -26.26 0.22 Allowed Glycine 0 N--CA 1.493 2.464 0 O-C-N 121.511 -0.743 . . . . 25.51 113.175 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 1.3 ptmt -49.7 -22.66 1.44 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.453 -1.027 . . . . 40.0 110.261 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.474 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 89.5 m-85 -98.54 -70.98 0.71 Allowed 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.681 -0.637 . . . . 6.82 110.091 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t 45.93 60.13 3.34 Favored 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.863 0.839 . . . . 1.33 109.282 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.057 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.64 119.28 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.878 -0.601 . . . . 0.62 110.233 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.847 ' CE1' HG12 ' A' ' 27' ' ' VAL . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' ' CG1' ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 15.1 m120 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.188 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.98 14.82 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 1.077 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p -134.72 92.68 2.93 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 114.562 -1.199 . . . . 1.16 108.286 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.467 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 81.7 p 176.59 137.09 0.2 Allowed Pre-proline 0 N--CA 1.498 1.928 0 CA-C-N 115.033 -0.985 . . . . 10.78 109.343 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -77.05 -42.27 0.32 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 N-CA-C 108.118 -1.532 . . . . 40.0 108.118 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 23' ' ' GLY . 17.9 tt -138.35 -44.09 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.696 -1.224 . . . . 40.0 107.696 177.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' HG23 ' A' ' 22' ' ' ILE . . . 172.41 28.31 0.02 OUTLIER Glycine 0 N--CA 1.485 1.909 0 N-CA-C 115.061 0.784 . . . . 22.92 115.061 176.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -57.94 -23.2 52.5 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 120.065 1.932 . . . . 40.0 108.277 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -146.2 -39.81 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.75 -0.833 . . . . 6.36 108.75 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 20' ' ' SER . 11.8 t 49.66 61.12 3.33 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.18 -0.95 . . . . 1.55 111.371 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.077 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.26 119.28 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 118.332 -1.347 . . . . 0.62 110.233 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.847 ' CE1' HG12 ' A' ' 27' ' ' VAL . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' ' CG1' ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 15.1 m120 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.188 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.26 16.16 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 1.057 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p . . . . . 0 C--N 1.299 -1.591 0 O-C-N 121.57 -0.706 . . . . 1.09 109.577 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.836 0.351 . . . . 6.82 110.091 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t 45.93 60.13 3.34 Favored 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.863 0.839 . . . . 1.33 109.282 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.057 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.64 119.28 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.878 -0.601 . . . . 0.62 110.233 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.847 ' CE1' HG12 ' A' ' 27' ' ' VAL . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' ' CG1' ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 50.6 m-80 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.188 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.98 14.82 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 1.077 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p . . . . . 0 C--N 1.298 -1.643 0 CA-C-N 114.562 -1.199 . . . . 1.16 108.286 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.75 -0.833 . . . . 6.36 108.75 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t 49.66 61.12 3.33 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.18 -0.95 . . . . 1.55 111.371 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.077 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.26 119.28 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 118.332 -1.347 . . . . 0.62 110.233 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.847 ' CE1' HG12 ' A' ' 27' ' ' VAL . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' ' CG1' ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 50.6 m-80 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.188 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.26 16.16 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 1.057 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p -136.39 119.26 16.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.57 -0.706 . . . . 1.09 109.577 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -165.67 107.28 0.75 Allowed Pre-proline 0 N--CA 1.489 1.491 0 C-N-CA 119.632 -0.827 . . . . 11.41 111.293 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.97 -27.55 17.29 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 N-CA-C 108.652 -1.326 . . . . 40.0 108.652 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG23 ' H ' ' A' ' 23' ' ' GLY . 7.9 tt -145.8 -52.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 109.114 -0.699 . . . . 40.0 109.114 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' H ' HG23 ' A' ' 22' ' ' ILE . . . 163.04 -26.26 0.22 Allowed Glycine 0 N--CA 1.493 2.464 0 O-C-N 121.511 -0.743 . . . . 25.51 113.175 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 1.3 ptmt -49.7 -22.66 1.44 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.453 -1.027 . . . . 40.0 110.261 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.474 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 89.5 m-85 -98.54 -70.98 0.71 Allowed 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.681 -0.637 . . . . 6.82 110.091 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t 45.93 60.13 3.34 Favored 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.863 0.839 . . . . 1.33 109.282 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.057 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.64 119.28 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.878 -0.601 . . . . 0.62 110.233 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.847 ' CE1' HG12 ' A' ' 27' ' ' VAL . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' ' CG1' ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 50.6 m-80 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.936 0.398 . . . . 40.0 110.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.31 67.77 9.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.502 -0.748 . . . . 19.31 109.671 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.69 -164.26 37.9 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 110.666 -0.974 . . . . 5.41 110.666 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.94 179.17 6.34 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.548 -0.971 . . . . 1.33 109.749 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.9 t -151.17 129.59 12.1 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.162 -0.961 . . . . 1.07 109.889 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -140.98 -178.75 5.71 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.152 -0.685 . . . . 1.03 109.152 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 7.7 pt-20 -120.17 151.47 39.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.61 110.305 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.468 ' N ' ' HE2' ' A' ' 13' ' ' LYS . . . 155.7 -111.52 0.49 Allowed Glycine 0 N--CA 1.489 2.225 0 C-N-CA 120.496 -0.859 . . . . 0.49 111.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 9' ' ' THR 0.302 88.3 m -158.51 25.55 0.24 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.243 . . . . 0.74 111.663 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -73.0 -16.14 61.52 Favored 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.137 -1.602 . . . . 0.97 114.158 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 25.0 m -133.56 27.93 4.01 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 121.347 -0.846 . . . . 1.21 110.214 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 26.83 69.91 Favored Glycine 0 C--N 1.299 -1.521 0 C-N-CA 119.146 -1.502 . . . . 2.22 110.1 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.188 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.1 pttt -88.05 46.39 1.38 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.387 -1.066 . . . . 1.48 112.891 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.6 113.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 107.3 -1.37 . . . . 1.14 107.3 177.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.38 -24.8 23.48 Favored Glycine 0 N--CA 1.5 2.915 0 C-N-CA 118.946 -1.597 . . . . 1.34 110.648 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 4.4 mtmp? -132.72 -144.79 0.24 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.19 1.495 . . . . 0.46 108.8 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -140.36 174.42 10.54 Favored 'General case' 0 N--CA 1.508 2.465 0 CA-C-N 121.304 1.866 . . . . 0.33 110.789 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 86.8 m -140.2 170.98 14.82 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.665 1.222 . . . . 0.61 113.077 -176.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 1.077 ' SG ' ' O ' ' A' ' 27' ' ' VAL . 1.8 p -134.72 92.68 2.93 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 114.562 -1.199 . . . . 1.16 108.286 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.467 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 81.7 p 176.59 137.09 0.2 Allowed Pre-proline 0 N--CA 1.498 1.928 0 CA-C-N 115.033 -0.985 . . . . 10.78 109.343 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -77.05 -42.27 0.32 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 N-CA-C 108.118 -1.532 . . . . 40.0 108.118 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 23' ' ' GLY . 17.9 tt -138.35 -44.09 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.696 -1.224 . . . . 40.0 107.696 177.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' HG23 ' A' ' 22' ' ' ILE . . . 172.41 28.31 0.02 OUTLIER Glycine 0 N--CA 1.485 1.909 0 N-CA-C 115.061 0.784 . . . . 22.92 115.061 176.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -57.94 -23.2 52.5 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 120.065 1.932 . . . . 40.0 108.277 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -146.2 -39.81 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.75 -0.833 . . . . 6.36 108.75 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 20' ' ' SER . 11.8 t 49.66 61.12 3.33 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.18 -0.95 . . . . 1.55 111.371 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.077 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 3.1 t -116.26 119.28 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 118.332 -1.347 . . . . 0.62 110.233 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 11' ' ' CYS . 31.3 m -116.87 155.11 29.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.487 -0.758 . . . . 0.34 111.695 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.847 ' CE1' HG12 ' A' ' 27' ' ' VAL . 97.3 m-85 -152.78 173.71 14.96 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.664 -0.495 . . . . 0.43 109.664 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.82 -36.9 36.21 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 119.795 -0.762 . . . . 0.82 110.782 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' ' CG1' ' A' ' 34' ' ' ILE . 2.2 m -80.45 106.42 12.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.14 -1.059 . . . . 1.01 108.14 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 15.0 ptpt -48.03 -30.47 4.41 Favored 'General case' 0 N--CA 1.516 2.829 0 CA-C-N 119.992 1.269 . . . . 1.0 107.889 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.67 86.18 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 121.472 -0.768 . . . . 1.88 110.002 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.639 HG22 ' CG ' ' A' ' 29' ' ' TYR . 15.7 mt -59.81 -30.61 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 120.89 -1.131 . . . . 1.01 109.679 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 1.047 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 1.6 t -62.35 -61.35 2.51 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.622 -1.251 . . . . 0.83 107.622 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.9 -51.21 68.4 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.451 -1.406 . . . . 2.51 110.325 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HD2' ' ND2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -65.4 -81.37 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 116.035 1.865 . . . . 2.56 116.035 -177.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' ND2' ' HD2' ' A' ' 37' ' ' LYS . 50.6 m-80 -61.94 -22.49 65.67 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.83 1.419 . . . . 1.4 114.83 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.047 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 33.7 m -49.81 -48.66 50.62 Favored 'General case' 0 C--N 1.277 -2.577 0 N-CA-C 115.983 1.846 . . . . 1.16 115.983 -176.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.504 2.237 0 CA-C-O 118.001 -1.0 . . . . 2.49 110.198 -176.184 . . . . . . . . 0 0 . 1 stop_ save_