data_1hpk_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 1hpk _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' A' ' 2' ' ' LYS . 25.3 t . . . . . 0 C--O 1.205 -1.278 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 . 172.113 -96.85 -152.541 104.026 2.019 103.644 99.941 -41.33 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.696 ' C ' ' H ' ' A' ' 4' ' ' GLY . 4.5 pttp -102.25 79.69 1.88 Allowed 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.551 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 ' N ' ' SG ' ' A' ' 79' ' ' CYS . 0.8 OUTLIER -78.66 38.38 0.31 Allowed 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.696 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 132.82 111.97 1.33 Allowed Glycine 0 C--N 1.296 -1.675 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -77.74 62.19 2.57 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.676 1.226 . . . . 0.0 107.97 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.54 46.63 0.67 Allowed Glycine 0 C--N 1.291 -1.944 0 CA-C-N 112.932 -1.94 . . . . 0.0 109.344 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -153.8 -50.22 0.09 Allowed 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.954 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' C ' ' CG ' ' A' ' 9' ' ' TYR . 15.1 m120 -148.28 145.09 28.04 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.731 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -177.14 178.82 1.07 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.085 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.7 OUTLIER -142.87 -55.74 0.42 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -65.58 9.97 0.54 Allowed Glycine 0 N--CA 1.5 2.959 0 C-N-CA 119.403 -1.379 . . . . 0.0 110.79 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.596 ' OG1' ' CE2' ' A' ' 49' ' ' TYR . 9.6 t -76.48 -5.62 48.24 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.3 -0.96 . . . . 0.0 110.248 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mtt -44.93 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.033 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p 178.56 59.36 0.01 OUTLIER 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -139.24 141.89 37.83 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.555 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -76.72 169.96 17.32 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 117.789 -1.564 . . . . 0.0 111.791 -179.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 73' ' ' TYR . 27.7 tttt -20.2 -47.08 0.0 OUTLIER 'General case' 0 N--CA 1.531 3.611 0 O-C-N 124.406 1.066 . . . . 0.0 113.639 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -88.88 -53.58 4.54 Favored 'General case' 0 C--N 1.275 -2.639 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' THR . . . 162.66 29.83 0.02 OUTLIER Glycine 0 C--N 1.29 -1.974 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.882 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.49 ' CG2' ' HZ1' ' A' ' 69' ' ' LYS . 8.2 mt -80.59 113.15 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 C-N-CA 118.854 -1.138 . . . . 0.0 112.309 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -37.67 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.41 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.24 -156.24 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.592 179.931 -96.67 -129.889 174.139 104.153 2.021 105.328 -122.397 -179.639 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.704 HE21 ' C ' ' A' ' 64' ' ' THR . 1.0 OUTLIER -114.42 -169.11 1.47 Allowed 'General case' 0 C--O 1.178 -2.703 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -117.25 10.89 13.9 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.645 0.736 . . . . 0.0 109.979 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 5.6 m95 66.62 41.26 3.1 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.256 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.502 ' H ' ' HD2' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -79.34 -81.88 0.11 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.9 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.545 ' H ' ' HE ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER 172.23 170.37 0.11 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.38 -1.328 . . . . 0.0 114.3 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.9 OUTLIER -64.95 -11.13 35.01 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.97 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.425 ' OG ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -65.61 -59.26 9.7 Favored Pre-proline 0 C--N 1.27 -2.849 0 C-N-CA 113.99 -3.084 . . . . 0.0 107.207 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' CD ' ' OG ' ' A' ' 29' ' ' SER . 2.1 Cg_endo -67.92 -70.49 0.02 OUTLIER 'Trans proline' 1 N--CA 1.377 -5.352 0 N-CA-C 102.975 -3.51 . . . . 0.0 102.975 171.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' ' NE ' ' A' ' 32' ' ' ARG . 6.4 t60 176.96 116.01 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER 162.31 131.85 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.03 -162.69 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 121.113 1.208 . . . . 0.0 112.978 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.557 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -121.79 49.25 1.57 Allowed 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 108.862 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.654 ' CE2' ' CZ2' ' A' ' 61' ' ' TRP . 2.9 t80 -77.52 140.61 39.78 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.027 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.716 ' H ' ' CD ' ' A' ' 37' ' ' PRO . 1.7 m 156.79 -6.03 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.371 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.716 ' CD ' ' H ' ' A' ' 36' ' ' SER . 8.0 Cg_exo -59.17 154.82 43.44 Favored 'Trans proline' 0 C--O 1.215 -0.625 0 CA-C-N 120.221 1.115 . . . . 0.0 112.278 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' A' ' 40' ' ' HIS . . . -91.0 -6.48 53.94 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.56 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -78.7 22.81 0.35 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.075 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.531 ' H ' ' C ' ' A' ' 38' ' ' ALA . 2.2 m80 -104.81 152.75 39.58 Favored Pre-proline 0 C--N 1.295 -1.769 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.775 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 53' ' ' PRO . 39.5 Cg_exo -42.97 -48.88 7.33 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.247 1.298 . . . . 0.0 110.735 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.85 -149.35 0.27 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.241 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -177.07 49.55 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.083 -1.047 . . . . 0.0 110.526 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.72 25.13 1.78 Allowed Glycine 0 C--N 1.295 -1.741 0 C-N-CA 118.888 -1.625 . . . . 0.0 109.69 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -76.22 64.26 2.0 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.587 0.708 . . . . 0.0 109.286 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -79.77 114.05 18.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 22.1 mm-40 45.94 -75.33 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 46' ' ' GLU . 34.1 p30 -132.88 83.41 2.06 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.87 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE2' ' OG1' ' A' ' 12' ' ' THR . 0.2 OUTLIER -126.66 -177.28 3.95 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 m -142.06 112.58 7.17 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 112.511 -2.131 . . . . 0.0 107.447 179.51 -44.214 145.704 48.359 102.695 2.012 105.345 98.298 -131.491 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.542 ' O ' ' CD1' ' A' ' 61' ' ' TRP . 18.2 mmt85 -142.58 -150.43 0.31 Allowed 'General case' 0 C--N 1.274 -2.702 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.704 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -139.24 42.43 0.55 Allowed Pre-proline 0 CA--C 1.56 1.329 0 C-N-CA 118.931 -1.108 . . . . 0.0 112.931 179.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 2.0 Cg_endo -72.73 0.55 7.48 Favored 'Trans proline' 0 C--O 1.199 -1.458 0 N-CA-C 110.183 -0.737 . . . . 0.0 110.183 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 55' ' ' ASN . 0.8 OUTLIER -105.46 -87.45 0.46 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.39 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -177.22 73.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 55' ' ' ASN . 1.6 m-20 -145.73 69.87 13.58 Favored Pre-proline 0 C--N 1.297 -1.691 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -61.92 -29.73 82.68 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 121.263 1.309 . . . . 0.0 110.706 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.552 ' H ' ' CD ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -52.46 -33.83 46.28 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.041 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.62 149.69 8.82 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.543 -1.313 . . . . 0.0 109.93 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -62.85 113.73 2.11 Favored 'Trans proline' 0 C--O 1.217 -0.566 0 N-CA-C 108.916 -1.225 . . . . 0.0 108.916 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.654 ' CZ2' ' CE2' ' A' ' 35' ' ' PHE . 19.2 p-90 -77.91 166.99 22.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.324 1.015 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.548 ' SG ' ' O ' ' A' ' 49' ' ' TYR . 53.6 t -177.26 135.87 0.2 Allowed 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.191 179.928 -179.639 -122.397 174.139 105.328 2.021 104.153 -129.889 -96.67 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 4.2 m-85 -94.89 -172.07 2.61 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 118.26 -1.376 . . . . 0.0 109.647 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.704 ' C ' HE21 ' A' ' 23' ' ' GLN . 0.1 OUTLIER -145.24 161.49 39.43 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 118.621 -1.232 . . . . 0.0 111.93 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 7.3 p -52.0 12.38 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -160.67 154.46 19.01 Favored Pre-proline 0 CA--C 1.57 1.737 0 C-N-CA 116.093 -2.243 . . . . 0.0 113.402 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' O ' ' N ' ' A' ' 69' ' ' LYS . 2.9 Cg_endo -57.3 -76.88 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.125 0 C-N-CA 123.504 2.802 . . . . 0.0 114.008 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' PRO . 19.8 mt-10 -33.9 -31.02 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.457 0 CA-C-O 121.506 0.669 . . . . 0.0 111.204 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.575 ' O ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -127.36 54.81 1.63 Allowed 'General case' 0 C--O 1.183 -2.399 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.525 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 4.8 ptt180 -76.54 -28.61 56.39 Favored 'General case' 0 C--N 1.278 -2.516 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -170.76 179.97 3.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 116.366 -2.134 . . . . 0.0 116.612 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER 152.8 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 110.318 -3.128 . . . . 0.0 106.127 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.9 m-85 -74.67 -160.36 0.1 Allowed 'General case' 0 C--O 1.182 -2.462 0 C-N-CA 117.576 -1.649 . . . . 0.0 112.191 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -116.83 152.44 34.43 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.114 0.884 . . . . 0.0 110.452 179.742 -131.491 98.298 48.359 105.345 2.012 102.695 145.704 -44.214 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 10.0 t0 -79.14 51.42 1.17 Allowed 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.618 -1.233 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' ' 1' ' ' CYS . 2.0 mt -80.14 137.22 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.091 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 78' ' ' GLU . 1.6 mm? -42.7 149.59 0.18 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.456 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 77' ' ' LEU . 2.2 tp10 -53.02 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.434 -0.907 . . . . 0.0 110.751 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.508 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 4.5 m . . . . . 0 C--N 1.299 -1.606 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.22 -179.888 -41.33 99.941 -152.541 103.644 2.019 104.026 -96.85 172.113 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ACA . . . . . 0.52 ' N6 ' ' OD2' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' A' ' 2' ' ' LYS . 25.3 t . . . . . 0 C--O 1.205 -1.278 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 . 172.113 -96.85 -152.541 104.026 2.019 103.644 99.941 -41.33 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.7 ' C ' ' H ' ' A' ' 4' ' ' GLY . 4.5 pttp -102.25 79.69 1.88 Allowed 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.551 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.417 ' N ' ' SG ' ' A' ' 79' ' ' CYS . 0.8 OUTLIER -78.66 38.38 0.31 Allowed 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.7 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 132.82 111.97 1.33 Allowed Glycine 0 C--N 1.296 -1.675 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -77.74 62.19 2.57 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.676 1.226 . . . . 0.0 107.97 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA2' HH21 ' A' ' 51' ' ' ARG . . . 113.54 46.63 0.67 Allowed Glycine 0 C--N 1.291 -1.944 0 CA-C-N 112.932 -1.94 . . . . 0.0 109.344 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -153.8 -50.22 0.09 Allowed 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.954 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' C ' ' CG ' ' A' ' 9' ' ' TYR . 15.1 m120 -148.28 145.09 28.04 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.731 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -177.14 178.82 1.07 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.085 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.7 OUTLIER -142.87 -55.74 0.42 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -65.58 9.97 0.54 Allowed Glycine 0 N--CA 1.5 2.959 0 C-N-CA 119.403 -1.379 . . . . 0.0 110.79 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.58 ' OG1' ' CE2' ' A' ' 49' ' ' TYR . 9.6 t -76.48 -5.62 48.24 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.3 -0.96 . . . . 0.0 110.248 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mtt -44.93 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.033 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p 178.56 59.36 0.01 OUTLIER 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -139.24 141.89 37.83 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.555 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.533 ' OG1' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -76.72 169.96 17.32 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 117.789 -1.564 . . . . 0.0 111.791 -179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 73' ' ' TYR . 27.7 tttt -20.2 -47.08 0.0 OUTLIER 'General case' 0 N--CA 1.531 3.611 0 O-C-N 124.406 1.066 . . . . 0.0 113.639 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -88.88 -53.58 4.54 Favored 'General case' 0 C--N 1.275 -2.639 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' THR . . . 162.66 29.83 0.02 OUTLIER Glycine 0 C--N 1.29 -1.974 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.882 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.533 ' HB ' ' OG1' ' A' ' 16' ' ' THR . 8.2 mt -80.59 113.15 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 C-N-CA 118.854 -1.138 . . . . 0.0 112.309 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -37.67 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.41 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.24 -156.24 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.592 179.931 -96.67 -129.889 174.139 104.153 2.021 105.328 -122.397 -179.639 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.791 HE22 ' HD2' ' A' ' 33' ' ' PRO . 6.5 pt20 -114.42 -169.11 1.47 Allowed 'General case' 0 C--O 1.178 -2.703 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -117.25 10.89 13.9 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.645 0.736 . . . . 0.0 109.979 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 5.6 m95 66.62 41.26 3.1 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.256 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.588 ' H ' ' HD2' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -79.34 -81.88 0.11 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.9 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.634 ' H ' ' HE ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER 172.23 170.37 0.11 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.38 -1.328 . . . . 0.0 114.3 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.9 OUTLIER -64.95 -11.13 35.01 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.97 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.425 ' OG ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -65.61 -59.26 9.7 Favored Pre-proline 0 C--N 1.27 -2.849 0 C-N-CA 113.99 -3.084 . . . . 0.0 107.207 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' CD ' ' OG ' ' A' ' 29' ' ' SER . 2.1 Cg_endo -67.92 -70.49 0.02 OUTLIER 'Trans proline' 1 N--CA 1.377 -5.352 0 N-CA-C 102.975 -3.51 . . . . 0.0 102.975 171.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' ' NE ' ' A' ' 32' ' ' ARG . 6.4 t60 176.96 116.01 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.634 ' HE ' ' H ' ' A' ' 27' ' ' SER . 0.0 OUTLIER 162.31 131.85 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.791 ' HD2' HE22 ' A' ' 23' ' ' GLN . 1.8 Cg_endo -61.03 -162.69 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 121.113 1.208 . . . . 0.0 112.978 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.557 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -121.79 49.25 1.57 Allowed 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 108.862 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.654 ' CE2' ' CZ2' ' A' ' 61' ' ' TRP . 2.9 t80 -77.52 140.61 39.78 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.027 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.811 ' H ' ' CD ' ' A' ' 37' ' ' PRO . 1.7 m 156.79 -6.03 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.371 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.811 ' CD ' ' H ' ' A' ' 36' ' ' SER . 8.0 Cg_exo -59.17 154.82 43.44 Favored 'Trans proline' 0 C--O 1.215 -0.625 0 CA-C-N 120.221 1.115 . . . . 0.0 112.278 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 40' ' ' HIS . . . -91.0 -6.48 53.94 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.56 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -78.7 22.81 0.35 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.075 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 53' ' ' PRO . 2.2 m80 -104.81 152.75 39.58 Favored Pre-proline 0 C--N 1.295 -1.769 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.775 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 53' ' ' PRO . 39.5 Cg_exo -42.97 -48.88 7.33 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.247 1.298 . . . . 0.0 110.735 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.85 -149.35 0.27 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.241 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -177.07 49.55 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.083 -1.047 . . . . 0.0 110.526 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.72 25.13 1.78 Allowed Glycine 0 C--N 1.295 -1.741 0 C-N-CA 118.888 -1.625 . . . . 0.0 109.69 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -76.22 64.26 2.0 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.587 0.708 . . . . 0.0 109.286 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -79.77 114.05 18.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 22.1 mm-40 45.94 -75.33 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 46' ' ' GLU . 34.1 p30 -132.88 83.41 2.06 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.87 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.58 ' CE2' ' OG1' ' A' ' 12' ' ' THR . 0.2 OUTLIER -126.66 -177.28 3.95 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 m -142.06 112.58 7.17 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 112.511 -2.131 . . . . 0.0 107.447 179.51 -44.214 145.704 48.359 102.695 2.012 105.345 98.298 -131.491 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.542 ' O ' ' CD1' ' A' ' 61' ' ' TRP . 18.2 mmt85 -142.58 -150.43 0.31 Allowed 'General case' 0 C--N 1.274 -2.702 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.704 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.719 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -139.24 42.43 0.55 Allowed Pre-proline 0 CA--C 1.56 1.329 0 C-N-CA 118.931 -1.108 . . . . 0.0 112.931 179.755 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.719 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 2.0 Cg_endo -72.73 0.55 7.48 Favored 'Trans proline' 0 C--O 1.199 -1.458 0 N-CA-C 110.183 -0.737 . . . . 0.0 110.183 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 55' ' ' ASN . 0.8 OUTLIER -105.46 -87.45 0.46 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.39 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -177.22 73.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 55' ' ' ASN . 1.6 m-20 -145.73 69.87 13.58 Favored Pre-proline 0 C--N 1.297 -1.691 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -61.92 -29.73 82.68 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 121.263 1.309 . . . . 0.0 110.706 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.637 ' H ' ' CD ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -52.46 -33.83 46.28 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.041 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.62 149.69 8.82 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.543 -1.313 . . . . 0.0 109.93 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -62.85 113.73 2.11 Favored 'Trans proline' 0 C--O 1.217 -0.566 0 N-CA-C 108.916 -1.225 . . . . 0.0 108.916 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.654 ' CZ2' ' CE2' ' A' ' 35' ' ' PHE . 19.2 p-90 -77.91 166.99 22.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.324 1.015 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.548 ' SG ' ' O ' ' A' ' 49' ' ' TYR . 53.6 t -177.26 135.87 0.2 Allowed 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.191 179.928 -179.639 -122.397 174.139 105.328 2.021 104.153 -129.889 -96.67 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 4.2 m-85 -94.89 -172.07 2.61 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 118.26 -1.376 . . . . 0.0 109.647 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -145.24 161.49 39.43 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 118.621 -1.232 . . . . 0.0 111.93 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 23' ' ' GLN . 7.3 p -52.0 12.38 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -160.67 154.46 19.01 Favored Pre-proline 0 CA--C 1.57 1.737 0 C-N-CA 116.093 -2.243 . . . . 0.0 113.402 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' O ' ' N ' ' A' ' 69' ' ' LYS . 2.9 Cg_endo -57.3 -76.88 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.125 0 C-N-CA 123.504 2.802 . . . . 0.0 114.008 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' PRO . 19.8 mt-10 -33.9 -31.02 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.457 0 CA-C-O 121.506 0.669 . . . . 0.0 111.204 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -127.36 54.81 1.63 Allowed 'General case' 0 C--O 1.183 -2.399 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.58 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 4.8 ptt180 -76.54 -28.61 56.39 Favored 'General case' 0 C--N 1.278 -2.516 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -170.76 179.97 3.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 116.366 -2.134 . . . . 0.0 116.612 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER 152.8 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 110.318 -3.128 . . . . 0.0 106.127 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.9 m-85 -74.67 -160.36 0.1 Allowed 'General case' 0 C--O 1.182 -2.462 0 C-N-CA 117.576 -1.649 . . . . 0.0 112.191 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -116.83 152.44 34.43 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.114 0.884 . . . . 0.0 110.452 179.742 -131.491 98.298 48.359 105.345 2.012 102.695 145.704 -44.214 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 10.0 t0 -79.14 51.42 1.17 Allowed 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.618 -1.233 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.577 HG21 ' O ' ' A' ' 1' ' ' CYS . 2.0 mt -80.14 137.22 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.091 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 78' ' ' GLU . 1.6 mm? -42.7 149.59 0.18 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.456 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 77' ' ' LEU . 2.2 tp10 -53.02 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.434 -0.907 . . . . 0.0 110.751 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.508 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 4.5 m . . . . . 0 C--N 1.299 -1.606 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.22 -179.888 -41.33 99.941 -152.541 103.644 2.019 104.026 -96.85 172.113 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ACA . . . . . 0.52 ' N6 ' ' OD2' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' A' ' 2' ' ' LYS . 25.3 t . . . . . 0 C--O 1.205 -1.278 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 . 172.113 -96.85 -152.541 104.026 2.019 103.644 99.941 -41.33 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.7 ' C ' ' H ' ' A' ' 4' ' ' GLY . 4.5 pttp -102.25 79.69 1.88 Allowed 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.551 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.417 ' N ' ' SG ' ' A' ' 79' ' ' CYS . 0.8 OUTLIER -78.66 38.38 0.31 Allowed 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.7 ' H ' ' C ' ' A' ' 2' ' ' LYS . . . 132.82 111.97 1.33 Allowed Glycine 0 C--N 1.296 -1.675 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -77.74 62.19 2.57 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.676 1.226 . . . . 0.0 107.97 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA2' HH21 ' A' ' 51' ' ' ARG . . . 113.54 46.63 0.67 Allowed Glycine 0 C--N 1.291 -1.944 0 CA-C-N 112.932 -1.94 . . . . 0.0 109.344 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -153.8 -50.22 0.09 Allowed 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 119.323 -0.951 . . . . 0.0 111.954 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' C ' ' CG ' ' A' ' 9' ' ' TYR . 15.1 m120 -148.28 145.09 28.04 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.655 -1.218 . . . . 0.0 111.731 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' OH ' ' NH2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -177.14 178.82 1.07 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.085 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.7 OUTLIER -142.87 -55.74 0.42 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.252 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -65.58 9.97 0.54 Allowed Glycine 0 N--CA 1.5 2.959 0 C-N-CA 119.403 -1.379 . . . . 0.0 110.79 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.58 ' OG1' ' CE2' ' A' ' 49' ' ' TYR . 9.6 t -76.48 -5.62 48.24 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 119.3 -0.96 . . . . 0.0 110.248 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mtt -44.93 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.033 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p 178.56 59.36 0.01 OUTLIER 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -139.24 141.89 37.83 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.555 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.533 ' OG1' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -76.72 169.96 17.32 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 117.789 -1.564 . . . . 0.0 111.791 -179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' A' ' 73' ' ' TYR . 27.7 tttt -20.2 -47.08 0.0 OUTLIER 'General case' 0 N--CA 1.531 3.611 0 O-C-N 124.406 1.066 . . . . 0.0 113.639 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -88.88 -53.58 4.54 Favored 'General case' 0 C--N 1.275 -2.639 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' THR . . . 162.66 29.83 0.02 OUTLIER Glycine 0 C--N 1.29 -1.974 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.882 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.533 ' HB ' ' OG1' ' A' ' 16' ' ' THR . 8.2 mt -80.59 113.15 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 C-N-CA 118.854 -1.138 . . . . 0.0 112.309 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -37.67 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.41 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.24 -156.24 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.592 179.931 -96.67 -129.889 174.139 104.153 2.021 105.328 -122.397 -179.639 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.758 HE21 ' C ' ' A' ' 64' ' ' THR . 1.0 OUTLIER -114.42 -169.11 1.47 Allowed 'General case' 0 C--O 1.178 -2.703 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -117.25 10.89 13.9 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.645 0.736 . . . . 0.0 109.979 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 5.6 m95 66.62 41.26 3.1 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.256 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.588 ' H ' ' HD2' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -79.34 -81.88 0.11 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.9 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.634 ' H ' ' HE ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER 172.23 170.37 0.11 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.38 -1.328 . . . . 0.0 114.3 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.9 OUTLIER -64.95 -11.13 35.01 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 113.292 -1.776 . . . . 0.0 114.97 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.425 ' OG ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -65.61 -59.26 9.7 Favored Pre-proline 0 C--N 1.27 -2.849 0 C-N-CA 113.99 -3.084 . . . . 0.0 107.207 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' CD ' ' OG ' ' A' ' 29' ' ' SER . 2.1 Cg_endo -67.92 -70.49 0.02 OUTLIER 'Trans proline' 1 N--CA 1.377 -5.352 0 N-CA-C 102.975 -3.51 . . . . 0.0 102.975 171.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' ' NE ' ' A' ' 32' ' ' ARG . 6.4 t60 176.96 116.01 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.396 -1.729 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.634 ' HE ' ' H ' ' A' ' 27' ' ' SER . 0.0 OUTLIER 162.31 131.85 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.03 -162.69 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 121.113 1.208 . . . . 0.0 112.978 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.557 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -121.79 49.25 1.57 Allowed 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 108.862 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.654 ' CE2' ' CZ2' ' A' ' 61' ' ' TRP . 2.9 t80 -77.52 140.61 39.78 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.027 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.811 ' H ' ' CD ' ' A' ' 37' ' ' PRO . 1.7 m 156.79 -6.03 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.371 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.811 ' CD ' ' H ' ' A' ' 36' ' ' SER . 8.0 Cg_exo -59.17 154.82 43.44 Favored 'Trans proline' 0 C--O 1.215 -0.625 0 CA-C-N 120.221 1.115 . . . . 0.0 112.278 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 40' ' ' HIS . . . -91.0 -6.48 53.94 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.56 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -78.7 22.81 0.35 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.075 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 53' ' ' PRO . 2.2 m80 -104.81 152.75 39.58 Favored Pre-proline 0 C--N 1.295 -1.769 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.775 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 53' ' ' PRO . 39.5 Cg_exo -42.97 -48.88 7.33 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.247 1.298 . . . . 0.0 110.735 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.85 -149.35 0.27 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.241 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -177.07 49.55 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.083 -1.047 . . . . 0.0 110.526 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.72 25.13 1.78 Allowed Glycine 0 C--N 1.295 -1.741 0 C-N-CA 118.888 -1.625 . . . . 0.0 109.69 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -76.22 64.26 2.0 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.587 0.708 . . . . 0.0 109.286 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -79.77 114.05 18.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 22.1 mm-40 45.94 -75.33 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 46' ' ' GLU . 34.1 p30 -132.88 83.41 2.06 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.87 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.58 ' CE2' ' OG1' ' A' ' 12' ' ' THR . 0.2 OUTLIER -126.66 -177.28 3.95 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.6 m -142.06 112.58 7.17 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 112.511 -2.131 . . . . 0.0 107.447 179.51 -44.214 145.704 48.359 102.695 2.012 105.345 98.298 -131.491 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.542 ' O ' ' CD1' ' A' ' 61' ' ' TRP . 18.2 mmt85 -142.58 -150.43 0.31 Allowed 'General case' 0 C--N 1.274 -2.702 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.704 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.719 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -139.24 42.43 0.55 Allowed Pre-proline 0 CA--C 1.56 1.329 0 C-N-CA 118.931 -1.108 . . . . 0.0 112.931 179.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.719 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 2.0 Cg_endo -72.73 0.55 7.48 Favored 'Trans proline' 0 C--O 1.199 -1.458 0 N-CA-C 110.183 -0.737 . . . . 0.0 110.183 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 55' ' ' ASN . 0.8 OUTLIER -105.46 -87.45 0.46 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.39 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -177.22 73.4 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 55' ' ' ASN . 1.6 m-20 -145.73 69.87 13.58 Favored Pre-proline 0 C--N 1.297 -1.691 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -61.92 -29.73 82.68 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 121.263 1.309 . . . . 0.0 110.706 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.637 ' H ' ' CD ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -52.46 -33.83 46.28 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.041 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.62 149.69 8.82 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.543 -1.313 . . . . 0.0 109.93 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -62.85 113.73 2.11 Favored 'Trans proline' 0 C--O 1.217 -0.566 0 N-CA-C 108.916 -1.225 . . . . 0.0 108.916 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.654 ' CZ2' ' CE2' ' A' ' 35' ' ' PHE . 19.2 p-90 -77.91 166.99 22.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 124.324 1.015 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.548 ' SG ' ' O ' ' A' ' 49' ' ' TYR . 53.6 t -177.26 135.87 0.2 Allowed 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 113.792 -1.549 . . . . 0.0 110.191 179.928 -179.639 -122.397 174.139 105.328 2.021 104.153 -129.889 -96.67 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 4.2 m-85 -94.89 -172.07 2.61 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 118.26 -1.376 . . . . 0.0 109.647 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.758 ' C ' HE21 ' A' ' 23' ' ' GLN . 0.1 OUTLIER -145.24 161.49 39.43 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 118.621 -1.232 . . . . 0.0 111.93 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 23' ' ' GLN . 7.3 p -52.0 12.38 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -160.67 154.46 19.01 Favored Pre-proline 0 CA--C 1.57 1.737 0 C-N-CA 116.093 -2.243 . . . . 0.0 113.402 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' O ' ' N ' ' A' ' 69' ' ' LYS . 2.9 Cg_endo -57.3 -76.88 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.125 0 C-N-CA 123.504 2.802 . . . . 0.0 114.008 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 67' ' ' PRO . 19.8 mt-10 -33.9 -31.02 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.457 0 CA-C-O 121.506 0.669 . . . . 0.0 111.204 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -127.36 54.81 1.63 Allowed 'General case' 0 C--O 1.183 -2.399 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.58 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 4.8 ptt180 -76.54 -28.61 56.39 Favored 'General case' 0 C--N 1.278 -2.516 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -170.76 179.97 3.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 116.366 -2.134 . . . . 0.0 116.612 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.555 ' CG ' ' N ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER 152.8 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 110.318 -3.128 . . . . 0.0 106.127 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.9 m-85 -74.67 -160.36 0.1 Allowed 'General case' 0 C--O 1.182 -2.462 0 C-N-CA 117.576 -1.649 . . . . 0.0 112.191 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -116.83 152.44 34.43 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.114 0.884 . . . . 0.0 110.452 179.742 -131.491 98.298 48.359 105.345 2.012 102.695 145.704 -44.214 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 10.0 t0 -79.14 51.42 1.17 Allowed 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.618 -1.233 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.577 HG21 ' O ' ' A' ' 1' ' ' CYS . 2.0 mt -80.14 137.22 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.091 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 78' ' ' GLU . 1.6 mm? -42.7 149.59 0.18 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.342 -0.943 . . . . 0.0 110.456 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 77' ' ' LEU . 2.2 tp10 -53.02 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.434 -0.907 . . . . 0.0 110.751 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.508 ' SG ' ' C ' ' A' ' 2' ' ' LYS . 4.5 m . . . . . 0 C--N 1.299 -1.606 0 CA-C-O 116.307 -1.806 . . . . 0.0 111.22 -179.888 -41.33 99.941 -152.541 103.644 2.019 104.026 -96.85 172.113 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ACA . . . . . 0.52 ' N6 ' ' OD2' ' A' ' 54' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_