data_1qwe_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 1qwe _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 ' 9' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.429 -0.582 . . . . 1.81 109.429 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.518 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 3.0 m-85 -102.97 174.41 5.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.186 -0.946 . . . . 2.25 109.48 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -139.44 125.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 1.36 109.457 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -74.18 102.07 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 1.18 109.492 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 92.9 mt -56.56 -40.09 74.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 1.51 109.456 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' CB ' ' B' ' 71' ' ' ALA . 0.3 OUTLIER -116.19 162.96 16.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 2.25 109.57 -179.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -79.74 128.19 33.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.392 -0.966 . . . . 1.85 108.392 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.661 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 12.4 t80 -105.74 127.78 53.29 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.978 -1.076 . . . . 2.14 110.166 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 25' ' ' SER . 21.2 mt-10 -97.42 99.49 10.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.536 -0.728 . . . . 2.67 109.496 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 1.3 p -53.3 133.82 39.76 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 1.74 109.405 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -98.87 -10.09 23.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 3.07 109.328 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.52 175.55 9.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 2.43 109.444 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.01 -5.23 59.19 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.23 -0.918 . . . . 3.11 109.61 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -90.1 8.0 34.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 2.14 109.62 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.522 ' HA ' ' N ' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.68 157.96 45.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 1.37 109.662 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.01 130.72 57.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.265 -0.897 . . . . 2.34 109.567 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -81.99 132.85 35.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.364 -0.835 . . . . 1.23 109.742 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' CE1' ' CB ' ' A' ' 16' ' ' TYR . 2.7 p90 -121.11 -177.64 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 1.92 109.778 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 15' ' ' ASP . 15.2 mtmt -127.55 179.13 5.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 3.41 109.597 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 77.4 tttt -75.07 112.2 11.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.259 -0.901 . . . . 2.67 109.477 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.78 0.32 36.51 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.616 -1.393 . . . . 0.65 109.616 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -82.12 130.58 35.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -1.19 . . . . 1.21 109.374 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -83.25 136.96 34.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 4.1 109.455 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -133.47 126.68 31.67 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 1.6 109.435 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -78.16 100.87 6.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.904 . . . . 2.33 109.413 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.527 ' CD1' HD12 ' A' ' 56' ' ' ILE . 14.0 mm -54.35 151.57 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.899 . . . . 1.21 109.458 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' A' ' 44' ' ' LEU . 61.6 t -125.24 -75.41 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.346 -0.846 . . . . 1.15 109.201 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -111.17 113.82 26.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.439 -0.788 . . . . 2.11 109.135 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.584 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 6.3 p-10 -125.7 48.07 2.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.304 -0.873 . . . . 1.96 109.625 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -131.94 10.79 4.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.222 -0.924 . . . . 1.68 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HB3' ' OD1' ' B' ' 78' ' ' ASN . 10.9 mt-10 -88.8 -59.73 2.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -0.94 . . . . 3.46 109.3 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' B' ' 78' ' ' ASN . . . -159.81 -129.64 1.07 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 1.22 109.638 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' SER . 2.8 m-20 -89.8 -13.4 36.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -1.147 . . . . 1.66 109.59 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.597 ' CD1' ' HA ' ' B' ' 77' ' ' ARG . 41.3 m95 -104.72 137.36 42.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.114 -0.991 . . . . 0.41 109.294 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 58' ' ' SER . 11.9 m0 -124.64 163.54 21.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.39 109.549 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 55' ' ' TYR . 26.3 tp -90.78 115.44 27.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.995 -1.065 . . . . 1.75 108.95 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB3' HD12 ' A' ' 56' ' ' ILE . . . -106.97 155.16 20.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 1.19 110.044 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -122.77 112.46 17.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.487 -0.758 . . . . 1.0 109.056 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -66.84 129.35 39.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 1.48 109.443 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.96 -15.5 31.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.258 -0.901 . . . . 1.85 109.435 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -63.63 -53.68 47.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.23 -0.918 . . . . 2.47 109.46 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.64 -33.85 8.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 3.07 109.442 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.36 1.05 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.531 -1.428 . . . . 1.17 109.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -133.35 153.3 51.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -1.155 . . . . 2.6 109.444 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.478 ' CG2' HD13 ' A' ' 44' ' ' LEU . 4.2 m -92.82 157.76 16.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 1.28 109.293 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 55' ' ' TYR . . . 175.66 118.96 0.55 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.813 -1.315 . . . . 0.47 109.813 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CD1' HD11 ' A' ' 44' ' ' LEU . 32.5 m-85 -47.42 174.32 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.255 -1.144 . . . . 2.47 109.138 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.527 HD12 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -160.37 146.23 11.5 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.201 -0.937 . . . . 1.49 109.102 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HD3' ' CD2' ' A' ' 16' ' ' TYR . 33.5 Cg_endo -75.41 115.86 4.35 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.342 2.028 . . . . 0.31 109.961 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.59 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 65.2 p -65.72 -27.93 68.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.38 -0.825 . . . . 0.99 110.505 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.531 ' ND2' ' HD3' ' B' ' 75' ' ' PRO . 31.3 p-10 -69.18 -11.06 60.47 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.089 -1.007 . . . . 1.02 109.352 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.454 ' OH ' ' O ' ' B' ' 72' ' ' PRO . 4.6 m-30 -105.23 -12.48 16.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 2.0 109.814 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.564 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 2.1 p -114.7 165.93 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 1.25 109.707 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.564 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.4 152.23 45.55 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.563 -0.711 . . . . 1.24 109.346 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -77.84 118.11 4.39 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.593 2.195 . . . . 0.86 110.398 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.98 -1.01 . . . . 2.47 109.432 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.634 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.545 -0.539 . . . . 1.38 109.545 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.486 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 34.4 Cg_endo -77.85 173.7 13.67 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.706 2.271 . . . . 0.88 110.363 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' B' ' 72' ' ' PRO . 34.3 Cg_endo -75.44 140.96 24.85 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.634 2.223 . . . . 0.87 110.354 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' A' ' 16' ' ' TYR . 37.9 mt -47.87 123.54 9.87 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 1.27 109.35 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . 0.531 ' HD3' ' ND2' ' A' ' 59' ' ' ASN . 36.2 Cg_endo -79.13 172.17 15.2 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.547 2.165 . . . . 0.81 110.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -76.17 125.39 8.51 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.665 2.244 . . . . 1.04 110.03 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.597 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 9.5 mtp85 -52.04 113.93 1.16 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.19 -0.944 . . . . 2.85 109.993 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' B' ' 77' ' ' ARG . 1.5 t-20 28.85 -92.15 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.352 0.596 . . . . 2.16 110.786 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' B' ' 77' ' ' ARG . 0.8 OUTLIER -117.23 164.61 18.33 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 7.31 109.353 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.589 ' O ' ' N ' ' B' ' 82' ' ' LEU . 35.1 Cg_endo -77.39 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.552 2.168 . . . . 6.03 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' B' ' 80' ' ' PRO . 0.0 OUTLIER 37.1 -87.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.879 -0.513 . . . . 10.83 110.491 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' B' ' 80' ' ' PRO . 3.7 mt . . . . . 0 N--CA 1.49 1.545 0 O-C-N 120.736 -1.228 . . . . 11.05 109.498 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.429 -0.582 . . . . 1.29 109.429 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.529 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 3.0 m-85 -102.97 174.41 5.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.186 -0.946 . . . . 1.3500000000000001 109.48 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -139.44 125.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 0.67000000000000004 109.457 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 26' ' ' PHE . . . -74.18 102.07 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.68999999999999995 109.492 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 92.9 mt -56.56 -40.09 74.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.87 109.456 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' CB ' ' B' ' 71' ' ' ALA . 0.3 OUTLIER -116.19 162.96 16.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 1.3400000000000001 109.57 -179.595 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -79.74 128.19 33.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.392 -0.966 . . . . 1.8500000000000001 108.392 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.661 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 12.4 t80 -105.74 127.78 53.29 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.978 -1.076 . . . . 1.27 110.166 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 25' ' ' SER . 21.2 mt-10 -97.42 99.49 10.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.536 -0.728 . . . . 2.6699999999999999 109.496 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.49 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 1.3 p -53.3 133.82 39.76 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 109.405 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -98.87 -10.09 23.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 2.4300000000000002 109.328 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.52 175.55 9.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 1.8 109.444 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.01 -5.23 59.19 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.23 -0.918 . . . . 3.1099999999999999 109.61 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -90.1 8.0 34.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 1.6000000000000001 109.62 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HA ' ' N ' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.68 157.96 45.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 1.3700000000000001 109.662 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 24' ' ' LEU . 8.7 mt -115.01 130.72 57.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.265 -0.897 . . . . 1.78 109.567 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.494 ' HB3' ' HA ' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -81.99 132.85 35.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.364 -0.835 . . . . 0.85999999999999999 109.742 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' CE1' ' CB ' ' A' ' 16' ' ' TYR . 2.7 p90 -121.11 -177.64 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 1.1299999999999999 109.778 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 15.2 mtmt -127.55 179.13 5.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 2.9500000000000002 109.597 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -75.07 112.2 11.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.259 -0.901 . . . . 2.1400000000000001 109.477 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.78 0.32 36.51 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.616 -1.393 . . . . 0.65000000000000002 109.616 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -82.12 130.58 35.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -1.19 . . . . 1.21 109.374 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -83.25 136.96 34.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 3.4900000000000002 109.455 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -133.47 126.68 31.67 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 0.92000000000000004 109.435 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -78.16 100.87 6.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.904 . . . . 2.1600000000000001 109.413 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.556 ' CD1' HD11 ' A' ' 56' ' ' ILE . 14.0 mm -54.35 151.57 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.899 . . . . 0.57999999999999996 109.458 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 44' ' ' LEU . 61.6 t -125.24 -75.41 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.346 -0.846 . . . . 0.51000000000000001 109.201 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -111.17 113.82 26.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.439 -0.788 . . . . 1.8100000000000001 109.135 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 6.3 p-10 -125.7 48.07 2.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.304 -0.873 . . . . 1.74 109.625 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -131.94 10.79 4.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.222 -0.924 . . . . 1.3100000000000001 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.598 ' HB3' ' ND2' ' B' ' 78' ' ' ASN . 10.9 mt-10 -88.8 -59.73 2.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -0.94 . . . . 3.46 109.3 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' B' ' 78' ' ' ASN . . . -159.81 -129.64 1.07 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 0.70999999999999996 109.638 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' SER . 2.8 m-20 -89.8 -13.4 36.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -1.147 . . . . 1.6599999999999999 109.59 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.609 ' CD1' ' HA ' ' B' ' 77' ' ' ARG . 41.3 m95 -104.72 137.36 42.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.114 -0.991 . . . . 0.31 109.294 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.622 ' CH2' ' HB2' ' A' ' 58' ' ' SER . 11.9 m0 -124.64 163.54 21.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.34999999999999998 109.549 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.804 HD13 ' CE1' ' A' ' 55' ' ' TYR . 26.3 tp -90.78 115.44 27.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.995 -1.065 . . . . 1.1499999999999999 108.95 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB1' ' HB3' ' A' ' 32' ' ' LEU . . . -106.97 155.16 20.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.44 110.044 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -122.77 112.46 17.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.487 -0.758 . . . . 0.75 109.056 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -66.84 129.35 39.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 1.1599999999999999 109.443 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.96 -15.5 31.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.258 -0.901 . . . . 1.3500000000000001 109.435 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -63.63 -53.68 47.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.23 -0.918 . . . . 2.0800000000000001 109.46 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.64 -33.85 8.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 2.5899999999999999 109.442 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.36 1.05 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.531 -1.428 . . . . 1.0900000000000001 109.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -133.35 153.3 51.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -1.155 . . . . 2.1400000000000001 109.444 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.518 ' CG2' HD11 ' A' ' 44' ' ' LEU . 4.2 m -92.82 157.76 16.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 0.82999999999999996 109.293 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 55' ' ' TYR . . . 175.66 118.96 0.55 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.813 -1.315 . . . . 0.38 109.813 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.804 ' CE1' HD13 ' A' ' 44' ' ' LEU . 32.5 m-85 -47.42 174.32 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.255 -1.144 . . . . 1.6100000000000001 109.138 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -160.37 146.23 11.5 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.201 -0.937 . . . . 0.83999999999999997 109.102 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD3' ' CD2' ' A' ' 16' ' ' TYR . 33.5 Cg_endo -75.41 115.86 4.35 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.342 2.028 . . . . 0.27000000000000002 109.961 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.622 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 65.2 p -65.72 -27.93 68.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.38 -0.825 . . . . 0.70999999999999996 110.505 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.54 ' ND2' ' HD3' ' B' ' 75' ' ' PRO . 31.3 p-10 -69.18 -11.06 60.47 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.089 -1.007 . . . . 0.77000000000000002 109.352 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.403 ' HB2' ' HG2' ' A' ' 57' ' ' PRO . 4.6 m-30 -105.23 -12.48 16.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 1.1599999999999999 109.814 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG22 ' N ' ' A' ' 62' ' ' ALA . 2.1 p -114.7 165.93 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.55000000000000004 109.707 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.582 ' N ' HG22 ' A' ' 61' ' ' VAL . . . -146.4 152.23 45.55 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.563 -0.711 . . . . 0.63 109.346 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -77.84 118.11 4.39 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.593 2.195 . . . . 0.81000000000000005 110.398 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.98 -1.01 . . . . 2.0600000000000001 109.432 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.634 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.545 -0.539 . . . . 0.87 109.545 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.492 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 34.4 Cg_endo -77.85 173.7 13.67 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.706 2.271 . . . . 0.75 110.363 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 72' ' ' PRO . 34.3 Cg_endo -75.44 140.96 24.85 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.634 2.223 . . . . 0.77000000000000002 110.354 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' B' ' 74' ' ' LEU . 37.9 mt -47.87 123.54 9.87 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 0.60999999999999999 109.35 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' PRO . . . . . 0.54 ' HD3' ' ND2' ' A' ' 59' ' ' ASN . 36.2 Cg_endo -79.13 172.17 15.2 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.547 2.165 . . . . 0.65000000000000002 110.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' B' ' 75' ' ' PRO . 34.5 Cg_endo -76.17 125.39 8.51 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.665 2.244 . . . . 0.88 110.03 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.609 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 9.5 mtp85 -52.04 113.93 1.16 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.19 -0.944 . . . . 2.1400000000000001 109.993 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.612 ' ND2' ' HG2' ' B' ' 79' ' ' ARG . 22.2 t30 28.85 -92.15 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.352 0.596 . . . . 2.0600000000000001 110.786 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.612 ' HG2' ' ND2' ' B' ' 78' ' ' ASN . 0.8 OUTLIER -117.23 164.61 18.33 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 6.6799999999999997 109.353 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.589 ' O ' ' N ' ' B' ' 82' ' ' LEU . 35.1 Cg_endo -77.39 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.552 2.168 . . . . 5.4400000000000004 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' B' ' 80' ' ' PRO . 0.0 OUTLIER 37.1 -87.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.879 -0.513 . . . . 10.289999999999999 110.491 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' B' ' 80' ' ' PRO . 3.7 mt . . . . . 0 N--CA 1.49 1.545 0 O-C-N 120.736 -1.228 . . . . 10.710000000000001 109.498 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.429 -0.582 . . . . 1.29 109.429 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.529 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 3.0 m-85 -102.97 174.41 5.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.186 -0.946 . . . . 1.35 109.48 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -139.44 125.69 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 0.67 109.457 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 26' ' ' PHE . . . -74.18 102.07 4.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.69 109.492 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 92.9 mt -56.56 -40.09 74.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.87 109.456 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' CB ' ' B' ' 71' ' ' ALA . 0.3 OUTLIER -116.19 162.96 16.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 1.34 109.57 -179.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -79.74 128.19 33.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.392 -0.966 . . . . 1.85 108.392 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.661 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 12.4 t80 -105.74 127.78 53.29 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.978 -1.076 . . . . 1.27 110.166 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 25' ' ' SER . 21.2 mt-10 -97.42 99.49 10.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.536 -0.728 . . . . 2.67 109.496 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.49 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . 1.3 p -53.3 133.82 39.76 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 1.37 109.405 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -98.87 -10.09 23.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 2.43 109.328 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.52 175.55 9.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 1.8 109.444 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.01 -5.23 59.19 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.23 -0.918 . . . . 3.11 109.61 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -90.1 8.0 34.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 1.6 109.62 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HA ' ' N ' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.68 157.96 45.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 1.37 109.662 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 24' ' ' LEU . 8.7 mt -115.01 130.72 57.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.265 -0.897 . . . . 1.78 109.567 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.494 ' HB3' ' HA ' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -81.99 132.85 35.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.364 -0.835 . . . . 0.86 109.742 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' CE1' ' CB ' ' A' ' 16' ' ' TYR . 2.7 p90 -121.11 -177.64 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 1.13 109.778 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 15.2 mtmt -127.55 179.13 5.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 2.95 109.597 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -75.07 112.2 11.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.259 -0.901 . . . . 2.14 109.477 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.78 0.32 36.51 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.616 -1.393 . . . . 0.65 109.616 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -82.12 130.58 35.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -1.19 . . . . 1.21 109.374 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -83.25 136.96 34.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 3.49 109.455 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -133.47 126.68 31.67 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 0.92 109.435 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -78.16 100.87 6.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.904 . . . . 2.16 109.413 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.556 ' CD1' HD11 ' A' ' 56' ' ' ILE . 14.0 mm -54.35 151.57 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.899 . . . . 0.58 109.458 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 44' ' ' LEU . 61.6 t -125.24 -75.41 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.346 -0.846 . . . . 0.51 109.201 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -111.17 113.82 26.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.439 -0.788 . . . . 1.81 109.135 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 6.3 p-10 -125.7 48.07 2.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.304 -0.873 . . . . 1.74 109.625 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -131.94 10.79 4.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.222 -0.924 . . . . 1.31 109.442 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HB3' ' OD1' ' B' ' 78' ' ' ASN . 10.9 mt-10 -88.8 -59.73 2.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.196 -0.94 . . . . 3.46 109.3 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' B' ' 78' ' ' ASN . . . -159.81 -129.64 1.07 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 0.71 109.638 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' SER . 2.8 m-20 -89.8 -13.4 36.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -1.147 . . . . 1.66 109.59 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.609 ' CD1' ' HA ' ' B' ' 77' ' ' ARG . 41.3 m95 -104.72 137.36 42.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.114 -0.991 . . . . 0.31 109.294 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.622 ' CH2' ' HB2' ' A' ' 58' ' ' SER . 11.9 m0 -124.64 163.54 21.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.35 109.549 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.804 HD13 ' CE1' ' A' ' 55' ' ' TYR . 26.3 tp -90.78 115.44 27.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.995 -1.065 . . . . 1.15 108.95 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB1' ' HB3' ' A' ' 32' ' ' LEU . . . -106.97 155.16 20.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.44 110.044 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -122.77 112.46 17.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.487 -0.758 . . . . 0.75 109.056 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -66.84 129.35 39.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 1.16 109.443 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.96 -15.5 31.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.258 -0.901 . . . . 1.35 109.435 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -63.63 -53.68 47.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.23 -0.918 . . . . 2.08 109.46 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.64 -33.85 8.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.232 -0.917 . . . . 2.59 109.442 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.36 1.05 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.531 -1.428 . . . . 1.09 109.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -133.35 153.3 51.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -1.155 . . . . 2.14 109.444 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.518 ' CG2' HD11 ' A' ' 44' ' ' LEU . 4.2 m -92.82 157.76 16.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 0.83 109.293 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 55' ' ' TYR . . . 175.66 118.96 0.55 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.813 -1.315 . . . . 0.38 109.813 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.804 ' CE1' HD13 ' A' ' 44' ' ' LEU . 32.5 m-85 -47.42 174.32 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.255 -1.144 . . . . 1.61 109.138 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -160.37 146.23 11.5 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.201 -0.937 . . . . 0.84 109.102 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD3' ' CD2' ' A' ' 16' ' ' TYR . 33.5 Cg_endo -75.41 115.86 4.35 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.342 2.028 . . . . 0.27 109.961 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.622 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 65.2 p -65.72 -27.93 68.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.38 -0.825 . . . . 0.71 110.505 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.54 ' ND2' ' HD3' ' B' ' 75' ' ' PRO . 31.3 p-10 -69.18 -11.06 60.47 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.089 -1.007 . . . . 0.77 109.352 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.403 ' HB2' ' HG2' ' A' ' 57' ' ' PRO . 4.6 m-30 -105.23 -12.48 16.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 1.16 109.814 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG22 ' N ' ' A' ' 62' ' ' ALA . 2.1 p -114.7 165.93 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.55 109.707 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.582 ' N ' HG22 ' A' ' 61' ' ' VAL . . . -146.4 152.23 45.55 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.563 -0.711 . . . . 0.63 109.346 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -77.84 118.11 4.39 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.593 2.195 . . . . 0.81 110.398 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.98 -1.01 . . . . 2.06 109.432 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.634 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.545 -0.539 . . . . 0.87 109.545 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.492 ' HG2' ' ND2' ' A' ' 59' ' ' ASN . 34.4 Cg_endo -77.85 173.7 13.67 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.706 2.271 . . . . 0.75 110.363 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 72' ' ' PRO . 34.3 Cg_endo -75.44 140.96 24.85 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.634 2.223 . . . . 0.77 110.354 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' B' ' 74' ' ' LEU . 37.9 mt -47.87 123.54 9.87 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 0.61 109.35 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . 0.54 ' HD3' ' ND2' ' A' ' 59' ' ' ASN . 36.2 Cg_endo -79.13 172.17 15.2 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.547 2.165 . . . . 0.65 110.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' B' ' 75' ' ' PRO . 34.5 Cg_endo -76.17 125.39 8.51 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.665 2.244 . . . . 0.88 110.03 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.609 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 9.5 mtp85 -52.04 113.93 1.16 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.19 -0.944 . . . . 2.14 109.993 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' B' ' 77' ' ' ARG . 1.5 t-20 28.85 -92.15 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.352 0.596 . . . . 2.06 110.786 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' B' ' 77' ' ' ARG . 0.8 OUTLIER -117.23 164.61 18.33 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 6.68 109.353 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.589 ' O ' ' N ' ' B' ' 82' ' ' LEU . 35.1 Cg_endo -77.39 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.552 2.168 . . . . 5.44 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' B' ' 80' ' ' PRO . 0.0 OUTLIER 37.1 -87.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.879 -0.513 . . . . 10.29 110.491 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' B' ' 80' ' ' PRO . 3.7 mt . . . . . 0 N--CA 1.49 1.545 0 O-C-N 120.736 -1.228 . . . . 10.71 109.498 -179.891 . . . . . . . . 1 1 . 1 stop_ save_