data_1pdc_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 1pdc _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.41 3.81 2.37 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -137.61 14.05 2.95 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 16.6 ttmt -137.95 -49.7 0.58 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' -1' ' ' LYS . 50.6 m -169.92 115.93 0.54 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.983 -179.916 -76.435 -44.133 -149.926 104.587 2.019 104.373 164.966 145.39 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.721 ' CG1' ' H ' ' A' ' 3' ' ' PHE . 2.8 p -93.86 -79.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 C-N-CA 119.086 -1.045 . . . . 0.0 111.666 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.721 ' H ' ' CG1' ' A' ' 2' ' ' VAL . 6.2 m-30 72.94 140.52 0.08 OUTLIER Pre-proline 0 N--CA 1.499 2.006 0 CA-C-O 121.66 0.743 . . . . 0.0 112.339 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 3' ' ' PHE . 3.4 Cg_endo -73.03 148.41 92.1 Favored 'Cis proline' 0 C--N 1.316 -1.138 0 C-N-CA 122.839 -1.734 . . . . 0.0 111.469 -1.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.644 ' CZ ' ' HB2' ' A' ' 12' ' ' TYR . 29.6 p90 -120.62 173.2 7.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.462 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 2.3 mt -119.16 86.96 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 C-N-CA 119.453 -0.899 . . . . 0.0 113.25 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.638 ' CD1' ' CZ2' ' A' ' 26' ' ' TRP . 3.6 t80 -61.29 106.4 0.62 Allowed 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.552 ' H ' ' HB3' ' A' ' 33' ' ' TYR . . . 45.38 29.15 2.48 Favored Glycine 0 N--CA 1.498 2.781 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.445 ' HA2' ' CG2' ' A' ' 6' ' ' ILE . . . 84.38 28.55 32.86 Favored Glycine 0 N--CA 1.507 3.41 0 C-N-CA 118.879 -1.629 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.8 tttp -108.58 -24.37 11.4 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 119.946 -0.702 . . . . 0.0 111.847 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 45.4 mttp 71.84 127.15 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 121.485 0.66 . . . . 0.0 111.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 2.4 m-85 -159.99 166.33 30.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.03 -83.56 0.65 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.218 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -72.91 -170.7 0.75 Allowed 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.297 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 26' ' ' TRP . 47.4 m -59.24 177.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 118.542 -1.263 . . . . 0.0 110.402 179.929 -52.972 -101.772 -67.886 104.772 2.029 104.82 -154.837 -94.792 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.585 ' C ' ' HB2' ' A' ' 25' ' ' SER . 3.3 t -163.95 125.45 2.32 Favored 'General case' 0 N--CA 1.519 2.984 0 C-N-CA 118.857 -1.137 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 25' ' ' SER . 2.9 ttpm? -67.11 -34.09 76.87 Favored 'General case' 0 C--O 1.204 -1.301 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.423 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 ' CG2' ' O ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER 38.91 40.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.639 0.733 . . . . 0.0 111.816 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.37 24.27 51.65 Favored Glycine 0 N--CA 1.497 2.709 0 C-N-CA 119.903 -1.142 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.4 t -80.36 -136.2 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.824 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' TRP . 4.3 tpt -130.45 104.05 7.02 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 118.608 -1.237 . . . . 0.0 112.31 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CE3' ' O ' ' A' ' 23' ' ' TRP . 10.8 t90 35.94 37.05 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.998 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.615 ' CE ' ' HG ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -160.01 -136.21 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.171 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.615 ' HG ' ' CE ' ' A' ' 24' ' ' MET . 52.1 p 172.48 -178.13 0.07 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.688 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.642 ' HA ' ' N ' ' A' ' 42' ' ' CYS . 58.5 p-90 -138.91 167.58 21.71 Favored 'General case' 0 N--CA 1.503 2.197 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' SG ' ' HZ ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.88 155.89 35.76 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.969 -179.98 145.39 164.966 -149.926 104.373 2.019 104.587 -44.133 -76.435 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -99.09 125.68 44.66 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.089 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.2 mt -74.12 -66.42 0.72 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.457 ' OG ' ' CB ' ' A' ' 38' ' ' ALA . 72.4 p -79.95 159.89 69.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.027 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 30' ' ' SER . 4.8 Cg_exo -54.49 -69.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 121.47 1.446 . . . . 0.0 111.212 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 4.0 t-20 -80.01 140.76 36.43 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 118.791 -1.164 . . . . 0.0 108.165 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.626 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 60.9 t80 -94.15 -72.61 0.61 Allowed 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.426 -0.909 . . . . 0.0 111.368 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 22.5 t0 47.66 7.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.222 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.545 ' H ' ' C ' ' A' ' 33' ' ' TYR . 31.6 mmtt 91.36 1.98 0.13 Allowed 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.138 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.5 t0 -71.39 68.37 0.53 Allowed 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.469 -0.893 . . . . 0.0 109.402 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 32.98 35.01 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 121.584 0.706 . . . . 0.0 109.763 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -84.75 30.22 0.58 Allowed 'General case' 0 C--N 1.307 -1.283 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.55 ' HE3' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -160.31 -178.82 7.21 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 116.848 -1.941 . . . . 0.0 115.391 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 26' ' ' TRP . 14.2 ptmt -157.01 153.65 28.34 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 111.746 -2.479 . . . . 0.0 105.209 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' OH ' ' HB3' ' A' ' 24' ' ' MET . 25.1 t80 -75.41 158.83 32.13 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 115.453 -2.499 . . . . 0.0 107.087 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.642 ' N ' ' HA ' ' A' ' 26' ' ' TRP . 1.3 m . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 116.079 -1.915 . . . . 0.0 112.029 -179.623 -94.792 -154.837 -67.886 104.82 2.029 104.772 -101.772 -52.972 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.41 3.81 2.37 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -137.61 14.05 2.95 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' LYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 16.6 ttmt -137.95 -49.7 0.58 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.474 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 50.6 m -169.92 115.93 0.54 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.983 -179.916 -76.435 -44.133 -149.926 104.587 2.019 104.373 164.966 145.39 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 1.026 HG13 ' H ' ' A' ' 3' ' ' PHE . 2.8 p -93.86 -79.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 C-N-CA 119.086 -1.045 . . . . 0.0 111.666 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.026 ' H ' HG13 ' A' ' 2' ' ' VAL . 6.2 m-30 72.94 140.52 0.08 OUTLIER Pre-proline 0 N--CA 1.499 2.006 0 CA-C-O 121.66 0.743 . . . . 0.0 112.339 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 3' ' ' PHE . 3.4 Cg_endo -73.03 148.41 92.1 Favored 'Cis proline' 0 C--N 1.316 -1.138 0 C-N-CA 122.839 -1.734 . . . . 0.0 111.469 -1.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 12' ' ' TYR . 29.6 p90 -120.62 173.2 7.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.462 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.682 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 2.3 mt -119.16 86.96 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 C-N-CA 119.453 -0.899 . . . . 0.0 113.25 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.638 ' CD1' ' CZ2' ' A' ' 26' ' ' TRP . 3.6 t80 -61.29 106.4 0.62 Allowed 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.549 ' H ' ' HB3' ' A' ' 33' ' ' TYR . . . 45.38 29.15 2.48 Favored Glycine 0 N--CA 1.498 2.781 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.558 ' HA2' HG22 ' A' ' 6' ' ' ILE . . . 84.38 28.55 32.86 Favored Glycine 0 N--CA 1.507 3.41 0 C-N-CA 118.879 -1.629 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.8 tttp -108.58 -24.37 11.4 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 119.946 -0.702 . . . . 0.0 111.847 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 45.4 mttp 71.84 127.15 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 121.485 0.66 . . . . 0.0 111.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 2.4 m-85 -159.99 166.33 30.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.03 -83.56 0.65 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.218 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -72.91 -170.7 0.75 Allowed 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.297 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' TRP . 47.4 m -59.24 177.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 118.542 -1.263 . . . . 0.0 110.402 179.929 -52.972 -101.772 -67.886 104.772 2.029 104.82 -154.837 -94.792 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.621 ' C ' ' HB2' ' A' ' 25' ' ' SER . 3.3 t -163.95 125.45 2.32 Favored 'General case' 0 N--CA 1.519 2.984 0 C-N-CA 118.857 -1.137 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 25' ' ' SER . 2.9 ttpm? -67.11 -34.09 76.87 Favored 'General case' 0 C--O 1.204 -1.301 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.423 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.591 HD13 ' CD2' ' A' ' 7' ' ' TYR . 0.6 OUTLIER 38.91 40.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.639 0.733 . . . . 0.0 111.816 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.37 24.27 51.65 Favored Glycine 0 N--CA 1.497 2.709 0 C-N-CA 119.903 -1.142 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.4 t -80.36 -136.2 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.824 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' TRP . 4.3 tpt -130.45 104.05 7.02 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 118.608 -1.237 . . . . 0.0 112.31 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CE3' ' O ' ' A' ' 23' ' ' TRP . 10.8 t90 35.94 37.05 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.998 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.649 ' HG3' ' H ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -160.01 -136.21 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.171 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.649 ' H ' ' HG3' ' A' ' 24' ' ' MET . 52.1 p 172.48 -178.13 0.07 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.688 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.666 ' HA ' ' N ' ' A' ' 42' ' ' CYS . 58.5 p-90 -138.91 167.58 21.71 Favored 'General case' 0 N--CA 1.503 2.197 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' SG ' ' HZ ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.88 155.89 35.76 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.969 -179.98 145.39 164.966 -149.926 104.373 2.019 104.587 -44.133 -76.435 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.55 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -99.09 125.68 44.66 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.089 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.2 mt -74.12 -66.42 0.72 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.457 ' OG ' ' CB ' ' A' ' 38' ' ' ALA . 72.4 p -79.95 159.89 69.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.027 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 30' ' ' SER . 4.8 Cg_exo -54.49 -69.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 121.47 1.446 . . . . 0.0 111.212 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 4.0 t-20 -80.01 140.76 36.43 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 118.791 -1.164 . . . . 0.0 108.165 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.682 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 60.9 t80 -94.15 -72.61 0.61 Allowed 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.426 -0.909 . . . . 0.0 111.368 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 22.5 t0 47.66 7.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.222 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 33' ' ' TYR . 31.6 mmtt 91.36 1.98 0.13 Allowed 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.138 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 50.5 t0 -71.39 68.37 0.53 Allowed 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.469 -0.893 . . . . 0.0 109.402 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 32.98 35.01 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 121.584 0.706 . . . . 0.0 109.763 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -84.75 30.22 0.58 Allowed 'General case' 0 C--N 1.307 -1.283 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.575 ' HE3' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -160.31 -178.82 7.21 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 116.848 -1.941 . . . . 0.0 115.391 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 26' ' ' TRP . 14.2 ptmt -157.01 153.65 28.34 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 111.746 -2.479 . . . . 0.0 105.209 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' OH ' ' HB3' ' A' ' 24' ' ' MET . 25.1 t80 -75.41 158.83 32.13 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 115.453 -2.499 . . . . 0.0 107.087 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.666 ' N ' ' HA ' ' A' ' 26' ' ' TRP . 1.3 m . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 116.079 -1.915 . . . . 0.0 112.029 -179.623 -94.792 -154.837 -67.886 104.82 2.029 104.772 -101.772 -52.972 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.41 3.81 2.37 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -137.61 14.05 2.95 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 16.6 ttmt -137.95 -49.7 0.58 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.474 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 50.6 m -169.92 115.93 0.54 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.983 -179.916 -76.435 -44.133 -149.926 104.587 2.019 104.373 164.966 145.39 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 1.026 HG13 ' H ' ' A' ' 3' ' ' PHE . 2.8 p -93.86 -79.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 C-N-CA 119.086 -1.045 . . . . 0.0 111.666 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.026 ' H ' HG13 ' A' ' 2' ' ' VAL . 6.2 m-30 72.94 140.52 0.08 OUTLIER Pre-proline 0 N--CA 1.499 2.006 0 CA-C-O 121.66 0.743 . . . . 0.0 112.339 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 3' ' ' PHE . 3.4 Cg_endo -73.03 148.41 92.1 Favored 'Cis proline' 0 C--N 1.316 -1.138 0 C-N-CA 122.839 -1.734 . . . . 0.0 111.469 -1.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 12' ' ' TYR . 29.6 p90 -120.62 173.2 7.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.462 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.682 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 2.3 mt -119.16 86.96 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 C-N-CA 119.453 -0.899 . . . . 0.0 113.25 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.638 ' CD1' ' CZ2' ' A' ' 26' ' ' TRP . 3.6 t80 -61.29 106.4 0.62 Allowed 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 120.005 -0.678 . . . . 0.0 111.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.549 ' H ' ' HB3' ' A' ' 33' ' ' TYR . . . 45.38 29.15 2.48 Favored Glycine 0 N--CA 1.498 2.781 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.558 ' HA2' HG22 ' A' ' 6' ' ' ILE . . . 84.38 28.55 32.86 Favored Glycine 0 N--CA 1.507 3.41 0 C-N-CA 118.879 -1.629 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.8 tttp -108.58 -24.37 11.4 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 119.946 -0.702 . . . . 0.0 111.847 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 45.4 mttp 71.84 127.15 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 121.485 0.66 . . . . 0.0 111.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 2.4 m-85 -159.99 166.33 30.22 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -119.03 -83.56 0.65 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.218 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -72.91 -170.7 0.75 Allowed 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.297 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' TRP . 47.4 m -59.24 177.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 118.542 -1.263 . . . . 0.0 110.402 179.929 -52.972 -101.772 -67.886 104.772 2.029 104.82 -154.837 -94.792 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.621 ' C ' ' HB2' ' A' ' 25' ' ' SER . 3.3 t -163.95 125.45 2.32 Favored 'General case' 0 N--CA 1.519 2.984 0 C-N-CA 118.857 -1.137 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 25' ' ' SER . 2.9 ttpm? -67.11 -34.09 76.87 Favored 'General case' 0 C--O 1.204 -1.301 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.423 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.591 HD13 ' CD2' ' A' ' 7' ' ' TYR . 0.6 OUTLIER 38.91 40.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.639 0.733 . . . . 0.0 111.816 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.37 24.27 51.65 Favored Glycine 0 N--CA 1.497 2.709 0 C-N-CA 119.903 -1.142 . . . . 0.0 111.378 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.4 t -80.36 -136.2 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.611 -0.835 . . . . 0.0 110.824 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' TRP . 4.3 tpt -130.45 104.05 7.02 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 118.608 -1.237 . . . . 0.0 112.31 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CE3' ' O ' ' A' ' 23' ' ' TRP . 10.8 t90 35.94 37.05 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.998 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.649 ' HG3' ' H ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -160.01 -136.21 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.171 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.649 ' H ' ' HG3' ' A' ' 24' ' ' MET . 52.1 p 172.48 -178.13 0.07 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.688 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.666 ' HA ' ' N ' ' A' ' 42' ' ' CYS . 58.5 p-90 -138.91 167.58 21.71 Favored 'General case' 0 N--CA 1.503 2.197 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' SG ' ' HZ ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.88 155.89 35.76 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.969 -179.98 145.39 164.966 -149.926 104.373 2.019 104.587 -44.133 -76.435 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.55 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -99.09 125.68 44.66 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 119.704 -0.798 . . . . 0.0 112.089 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.2 mt -74.12 -66.42 0.72 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.457 ' OG ' ' CB ' ' A' ' 38' ' ' ALA . 72.4 p -79.95 159.89 69.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.027 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 30' ' ' SER . 4.8 Cg_exo -54.49 -69.18 0.06 OUTLIER 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 121.47 1.446 . . . . 0.0 111.212 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 4.0 t-20 -80.01 140.76 36.43 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 118.791 -1.164 . . . . 0.0 108.165 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.682 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 60.9 t80 -94.15 -72.61 0.61 Allowed 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.426 -0.909 . . . . 0.0 111.368 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 22.5 t0 47.66 7.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.222 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 33' ' ' TYR . 31.6 mmtt 91.36 1.98 0.13 Allowed 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.138 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 50.5 t0 -71.39 68.37 0.53 Allowed 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.469 -0.893 . . . . 0.0 109.402 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 32.98 35.01 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 121.584 0.706 . . . . 0.0 109.763 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -84.75 30.22 0.58 Allowed 'General case' 0 C--N 1.307 -1.283 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.575 ' HE3' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -160.31 -178.82 7.21 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 116.848 -1.941 . . . . 0.0 115.391 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 26' ' ' TRP . 14.2 ptmt -157.01 153.65 28.34 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 111.746 -2.479 . . . . 0.0 105.209 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' OH ' ' HB3' ' A' ' 24' ' ' MET . 25.1 t80 -75.41 158.83 32.13 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 115.453 -2.499 . . . . 0.0 107.087 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.666 ' N ' ' HA ' ' A' ' 26' ' ' TRP . 1.3 m . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 116.079 -1.915 . . . . 0.0 112.029 -179.623 -94.792 -154.837 -67.886 104.82 2.029 104.772 -101.772 -52.972 1 1 . 1 stop_ save_