data_1bi6_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 1bi6 _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 ' L' L ' 1' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.46 -97.56 0.22 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.537 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.43 165.56 19.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.075 -1.015 . . . . 0.0 109.443 -179.776 25.324 -149.253 -174.204 104.189 2.02 104.275 80.883 -175.729 2 2 . 1 . 001 nuclear orig full ' L' L ' 4' ' ' SER . . . . . . . . . . . . . 3.9 t -88.95 -18.35 27.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.405 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -103.26 67.65 0.94 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.905 . . . . 0.0 109.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.48 129.6 34.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.367 -0.833 . . . . 0.0 109.558 -179.926 51.365 149.032 125.577 104.196 2.02 104.302 -110.88 -100.719 1 1 . 1 . 001 nuclear orig full ' L' L ' 7' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' H' ' 8' ' ' THR . 37.1 t -93.96 119.43 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.082 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 8' ' ' CYS . . . . . 0.526 ' N ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -166.02 60.63 0.65 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.104 -0.997 . . . . 0.0 110.158 -179.591 -121.97 147.687 -97.773 103.782 2.02 103.911 -44.485 -63.228 3 3 . 1 . 001 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' L' ' 8' ' ' CYS . 36.6 Cg_endo -79.85 67.9 8.47 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.393 2.062 . . . . 0.0 110.425 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 10' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' L' ' 9' ' ' PRO . 0.1 OUTLIER 172.86 67.93 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.881 . . . . 0.0 109.26 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' H' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.635 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' GLU . . . . . 0.481 ' HB3' ' SG ' ' L' ' 8' ' ' CYS . 3.2 tp10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.344 0.592 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' H' ' 3' ' ' TYR . 8.7 pt-20 -140.44 -160.7 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 0.0 110.149 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' H' ' 4' ' ' LYS . 1.1 t80 -36.83 -77.19 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.101 0.477 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' H' ' 3' ' ' TYR . 0.8 OUTLIER -147.2 90.18 1.86 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.119 -0.988 . . . . 0.0 109.319 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' H' ' 4' ' ' LYS . 74.0 m -39.66 162.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.517 0.675 . . . . 0.0 110.295 -179.649 -63.228 -44.485 -97.773 103.911 2.02 103.782 147.687 -121.97 2 2 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' H' ' 6' ' ' TYR . 0.0 OUTLIER -122.24 117.74 26.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' H' ' 30' ' ' CYS . 42.6 t -69.71 120.21 15.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 109.436 179.854 -175.729 80.883 -174.204 104.275 2.02 104.189 -149.253 25.324 2 2 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' THR . . . . . 0.504 ' OG1' ' CG2' ' L' ' 7' ' ' VAL . 66.2 p -135.01 23.77 3.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.785 . . . . 0.0 109.88 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' H' ' 11' ' ' TYR . 24.7 t70 -67.39 161.88 24.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.075 -1.015 . . . . 0.0 109.226 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' H' ' 28' ' ' TYR . 11.8 p -105.02 154.33 20.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.704 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' TYR . . . . . 0.532 ' CE1' ' O ' ' H' ' 9' ' ' ASP . 0.1 OUTLIER -150.56 -170.17 3.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.984 -1.072 . . . . 0.0 110.819 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' H' ' 13' ' ' ASP . 0.7 OUTLIER -101.94 3.38 38.98 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' ASP . . . . . 0.58 ' HA ' ' CE1' ' H' ' 28' ' ' TYR . 13.0 t70 178.47 153.75 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.399 -0.813 . . . . 0.0 109.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' H' ' 13' ' ' ASP . 1.0 OUTLIER -46.44 116.49 3.72 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 108.917 -179.952 -100.169 32.514 -119.197 104.229 2.021 104.283 -78.577 65.363 3 3 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' PRO . . . . . 0.629 ' CB ' ' CZ ' ' H' ' 17' ' ' PHE . 35.5 Cg_endo -76.09 155.52 38.01 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.464 2.109 . . . . 0.0 111.365 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.27 -27.9 58.33 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' H' ' 15' ' ' PRO . 12.4 p90 -85.94 -23.19 27.06 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.205 -1.174 . . . . 0.0 109.25 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' CYS . . . . . 0.564 ' CB ' ' HG2' ' H' ' 15' ' ' PRO . 4.0 t -122.84 73.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.341 179.229 -155.213 128.975 85.239 104.203 2.019 104.517 58.726 177.113 2 2 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -21.72 10.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.313 -0.867 . . . . 0.0 109.197 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' H' ' 18' ' ' CYS . 61.2 m -105.59 120.58 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' CYS . . . . . 0.53 ' SG ' ' CD2' ' H' ' 28' ' ' TYR . 31.2 p -155.67 -173.61 4.61 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.109 -0.994 . . . . 0.0 110.088 -179.26 65.363 -78.577 -119.197 104.283 2.021 104.229 32.514 -100.169 2 2 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' LYS . . . . . 0.469 ' O ' HD11 ' H' ' 29' ' ' ILE . 18.5 mttt -152.35 136.98 16.92 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ALA . . . . . 0.592 ' HB3' ' CZ ' ' H' ' 28' ' ' TYR . . . -94.17 106.43 18.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.057 -1.027 . . . . 0.0 109.586 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' GLU . . . . . 0.598 ' HB3' ' CE1' ' H' ' 25' ' ' PHE . 43.8 mm-40 -128.7 152.6 48.23 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.235 -0.915 . . . . 0.0 109.553 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' H' ' 24' ' ' GLU . 0.0 OUTLIER 50.83 17.85 0.45 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.438 -0.789 . . . . 0.0 110.439 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.74 18.73 Favored Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.678 -1.248 . . . . 0.0 111.493 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -102.06 -167.79 1.45 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.712 -1.464 . . . . 0.0 109.675 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' TYR . . . . . 0.592 ' CZ ' ' HB3' ' H' ' 23' ' ' ALA . 3.5 m-85 -117.96 171.72 7.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.29 -0.881 . . . . 0.0 109.528 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' ILE . . . . . 0.469 HD11 ' O ' ' H' ' 22' ' ' LYS . 2.8 mp -142.59 128.71 17.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' CYS . . . . . 0.484 ' O ' ' HA ' ' H' ' 8' ' ' THR . 42.1 t -90.28 142.17 27.99 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.352 -0.842 . . . . 0.0 110.076 -179.249 177.113 58.726 85.239 104.517 2.019 104.203 128.975 -155.213 2 2 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.2 40.89 3.16 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.08 177.77 4.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.659 -0.651 . . . . 0.0 110.137 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' LEU . . . . . 0.45 ' O ' HG13 ' H' ' 34' ' ' ILE . 1.6 mp -134.08 114.09 12.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.416 -0.803 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' ILE . . . . . 0.495 ' CG2' ' HD3' ' H' ' 36' ' ' PRO . 1.3 mp -158.49 151.55 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 0.0 109.16 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' SER . . . . . 0.473 ' N ' HG21 ' H' ' 34' ' ' ILE . 8.4 t -166.3 79.09 1.1 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.442 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' PRO . . . . . 0.495 ' HD3' ' CG2' ' H' ' 34' ' ' ILE . 34.7 Cg_endo -77.37 4.71 5.68 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.569 2.179 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' H' ' 36' ' ' PRO . 0.4 OUTLIER 178.64 -161.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' ASP . . . . . 0.447 ' O ' ' SG ' ' H' ' 39' ' ' CYS . 0.2 OUTLIER -60.68 -60.99 2.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 109.314 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' H' ' 38' ' ' ASP . 1.0 OUTLIER -176.85 -175.25 0.6 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.896 -100.719 -110.88 125.577 104.302 2.02 104.196 149.032 51.365 3 3 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -102.65 38.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.895 . . . . 0.0 109.518 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.794 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 1' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.46 -97.56 0.22 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.537 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.43 165.56 19.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.075 -1.015 . . . . 0.0 109.443 -179.776 25.324 -149.253 -174.204 104.189 2.02 104.275 80.883 -175.729 2 2 . 1 . 001 nuclear build full ' L' L ' 4' ' ' SER . . . . . . . . . . . . . 3.9 t -88.95 -18.35 27.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.405 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -103.26 67.65 0.94 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.905 . . . . 0.0 109.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.48 129.6 34.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.367 -0.833 . . . . 0.0 109.558 -179.926 51.365 149.032 125.577 104.196 2.02 104.302 -110.88 -100.719 1 1 . 1 . 001 nuclear build full ' L' L ' 7' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' H' ' 8' ' ' THR . 37.1 t -93.96 119.43 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.082 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 8' ' ' CYS . . . . . 0.533 ' N ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -166.02 60.63 0.65 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.104 -0.997 . . . . 0.0 110.158 -179.591 -121.97 147.687 -97.773 103.782 2.02 103.911 -44.485 -63.228 3 3 . 1 . 001 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' L' ' 8' ' ' CYS . 36.6 Cg_endo -79.85 67.9 8.47 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.393 2.062 . . . . 0.0 110.425 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 10' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' L' ' 9' ' ' PRO . 0.1 OUTLIER 172.86 67.93 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.881 . . . . 0.0 109.26 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 11' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' H' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.635 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 1' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' L' ' 11' ' ' ARG . 3.2 tp10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.344 0.592 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 2' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' H' ' 3' ' ' TYR . 8.7 pt-20 -140.44 -160.7 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 0.0 110.149 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 3' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' H' ' 4' ' ' LYS . 1.1 t80 -36.83 -77.19 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.101 0.477 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 4' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' H' ' 3' ' ' TYR . 0.8 OUTLIER -147.2 90.18 1.86 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.119 -0.988 . . . . 0.0 109.319 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 5' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' H' ' 4' ' ' LYS . 74.0 m -39.66 162.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.517 0.675 . . . . 0.0 110.295 -179.649 -63.228 -44.485 -97.773 103.911 2.02 103.782 147.687 -121.97 2 2 . 1 . 001 nuclear build full ' H' H ' 6' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' H' ' 6' ' ' TYR . 0.0 OUTLIER -122.24 117.74 26.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.41 ' HB3' ' SG ' ' H' ' 30' ' ' CYS . 42.6 t -69.71 120.21 15.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 109.436 179.854 -175.729 80.883 -174.204 104.275 2.02 104.189 -149.253 25.324 2 2 . 1 . 001 nuclear build full ' H' H ' 8' ' ' THR . . . . . 0.504 ' OG1' ' CG2' ' L' ' 7' ' ' VAL . 66.2 p -135.01 23.77 3.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.785 . . . . 0.0 109.88 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 9' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' H' ' 11' ' ' TYR . 24.7 t70 -67.39 161.88 24.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.075 -1.015 . . . . 0.0 109.226 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 10' ' ' THR . . . . . 0.828 HG22 ' O ' ' H' ' 28' ' ' TYR . 11.8 p -105.02 154.33 20.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.704 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 11' ' ' TYR . . . . . 0.532 ' CE1' ' O ' ' H' ' 9' ' ' ASP . 0.1 OUTLIER -150.56 -170.17 3.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.984 -1.072 . . . . 0.0 110.819 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 12' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' H' ' 13' ' ' ASP . 0.7 OUTLIER -101.94 3.38 38.98 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 13' ' ' ASP . . . . . 0.587 ' HA ' ' CE1' ' H' ' 28' ' ' TYR . 13.0 t70 178.47 153.75 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.399 -0.813 . . . . 0.0 109.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' H' ' 13' ' ' ASP . 1.0 OUTLIER -46.44 116.49 3.72 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 108.917 -179.952 -100.169 32.514 -119.197 104.229 2.021 104.283 -78.577 65.363 3 3 . 1 . 001 nuclear build full ' H' H ' 15' ' ' PRO . . . . . 0.629 ' CB ' ' CZ ' ' H' ' 17' ' ' PHE . 35.5 Cg_endo -76.09 155.52 38.01 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.464 2.109 . . . . 0.0 111.365 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.27 -27.9 58.33 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' H' ' 15' ' ' PRO . 12.4 p90 -85.94 -23.19 27.06 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.205 -1.174 . . . . 0.0 109.25 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' CYS . . . . . 0.578 ' CB ' ' HG2' ' H' ' 15' ' ' PRO . 4.0 t -122.84 73.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.341 179.229 -155.213 128.975 85.239 104.203 2.019 104.517 58.726 177.113 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -21.72 10.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.313 -0.867 . . . . 0.0 109.197 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 20' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' H' ' 18' ' ' CYS . 61.2 m -105.59 120.58 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 21' ' ' CYS . . . . . 0.53 ' SG ' ' CD2' ' H' ' 28' ' ' TYR . 31.2 p -155.67 -173.61 4.61 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.109 -0.994 . . . . 0.0 110.088 -179.26 65.363 -78.577 -119.197 104.283 2.021 104.229 32.514 -100.169 2 2 . 1 . 001 nuclear build full ' H' H ' 22' ' ' LYS . . . . . 0.684 ' O ' HD12 ' H' ' 29' ' ' ILE . 18.5 mttt -152.35 136.98 16.92 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ALA . . . . . 0.605 ' HB2' ' CZ ' ' H' ' 28' ' ' TYR . . . -94.17 106.43 18.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.057 -1.027 . . . . 0.0 109.586 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 24' ' ' GLU . . . . . 0.628 ' HB3' ' CE1' ' H' ' 25' ' ' PHE . 43.8 mm-40 -128.7 152.6 48.23 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.235 -0.915 . . . . 0.0 109.553 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' H' ' 24' ' ' GLU . 0.0 OUTLIER 50.83 17.85 0.45 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.438 -0.789 . . . . 0.0 110.439 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.74 18.73 Favored Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.678 -1.248 . . . . 0.0 111.493 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' LYS . . . . . 0.404 ' HD2' HG21 ' H' ' 10' ' ' THR . 3.3 ptpt -102.06 -167.79 1.45 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.712 -1.464 . . . . 0.0 109.675 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' TYR . . . . . 0.828 ' O ' HG22 ' H' ' 10' ' ' THR . 3.5 m-85 -117.96 171.72 7.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.29 -0.881 . . . . 0.0 109.528 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 29' ' ' ILE . . . . . 0.684 HD12 ' O ' ' H' ' 22' ' ' LYS . 2.8 mp -142.59 128.71 17.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 30' ' ' CYS . . . . . 0.499 ' HB2' ' OH ' ' H' ' 11' ' ' TYR . 42.1 t -90.28 142.17 27.99 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.352 -0.842 . . . . 0.0 110.076 -179.249 177.113 58.726 85.239 104.517 2.019 104.203 128.975 -155.213 2 2 . 1 . 001 nuclear build full ' H' H ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.2 40.89 3.16 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.08 177.77 4.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.659 -0.651 . . . . 0.0 110.137 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 33' ' ' LEU . . . . . 0.516 ' C ' HD12 ' H' ' 34' ' ' ILE . 1.6 mp -134.08 114.09 12.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.416 -0.803 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 34' ' ' ILE . . . . . 0.723 HG22 ' HD3' ' H' ' 36' ' ' PRO . 1.3 mp -158.49 151.55 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 0.0 109.16 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -166.3 79.09 1.1 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.442 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 36' ' ' PRO . . . . . 0.723 ' HD3' HG22 ' H' ' 34' ' ' ILE . 34.7 Cg_endo -77.37 4.71 5.68 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.569 2.179 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 37' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' H' ' 36' ' ' PRO . 9.8 p-10 178.64 -161.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 38' ' ' ASP . . . . . 0.447 ' O ' ' SG ' ' H' ' 39' ' ' CYS . 0.2 OUTLIER -60.68 -60.99 2.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 109.314 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 39' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' H' ' 38' ' ' ASP . 1.0 OUTLIER -176.85 -175.25 0.6 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.896 -100.719 -110.88 125.577 104.302 2.02 104.196 149.032 51.365 3 3 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.511 HG12 ' O ' ' H' ' 40' ' ' VAL . 17.5 t -102.65 38.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.895 . . . . 0.0 109.518 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.794 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 1' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.46 -97.56 0.22 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.537 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.43 165.56 19.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.075 -1.015 . . . . 0.0 109.443 -179.776 25.324 -149.253 -174.204 104.189 2.02 104.275 80.883 -175.729 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 4' ' ' SER . . . . . . . . . . . . . 3.9 t -88.95 -18.35 27.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.405 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -103.26 67.65 0.94 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.905 . . . . 0.0 109.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.48 129.6 34.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.367 -0.833 . . . . 0.0 109.558 -179.926 51.365 149.032 125.577 104.196 2.02 104.302 -110.88 -100.719 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 7' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' H' ' 8' ' ' THR . 37.1 t -93.96 119.43 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.082 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 8' ' ' CYS . . . . . 0.533 ' N ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -166.02 60.63 0.65 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.104 -0.997 . . . . 0.0 110.158 -179.591 -121.97 147.687 -97.773 103.782 2.02 103.911 -44.485 -63.228 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' L' ' 8' ' ' CYS . 36.6 Cg_endo -79.85 67.9 8.47 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.393 2.062 . . . . 0.0 110.425 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 10' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' L' ' 9' ' ' PRO . 0.1 OUTLIER 172.86 67.93 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.881 . . . . 0.0 109.26 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' H' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.635 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' L' ' 11' ' ' ARG . 3.2 tp10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.344 0.592 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' H' ' 3' ' ' TYR . 8.7 pt-20 -140.44 -160.7 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 0.0 110.149 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' H' ' 4' ' ' LYS . 1.1 t80 -36.83 -77.19 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.101 0.477 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' H' ' 3' ' ' TYR . 0.8 OUTLIER -147.2 90.18 1.86 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.119 -0.988 . . . . 0.0 109.319 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' H' ' 4' ' ' LYS . 74.0 m -39.66 162.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.517 0.675 . . . . 0.0 110.295 -179.649 -63.228 -44.485 -97.773 103.911 2.02 103.782 147.687 -121.97 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' H' ' 6' ' ' TYR . 0.0 OUTLIER -122.24 117.74 26.89 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.41 ' HB3' ' SG ' ' H' ' 30' ' ' CYS . 42.6 t -69.71 120.21 15.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 109.436 179.854 -175.729 80.883 -174.204 104.275 2.02 104.189 -149.253 25.324 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' THR . . . . . 0.504 ' OG1' ' CG2' ' L' ' 7' ' ' VAL . 66.2 p -135.01 23.77 3.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.785 . . . . 0.0 109.88 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' H' ' 11' ' ' TYR . 24.7 t70 -67.39 161.88 24.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.075 -1.015 . . . . 0.0 109.226 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' THR . . . . . 0.828 HG22 ' O ' ' H' ' 28' ' ' TYR . 11.8 p -105.02 154.33 20.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.704 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' TYR . . . . . 0.532 ' CE1' ' O ' ' H' ' 9' ' ' ASP . 0.1 OUTLIER -150.56 -170.17 3.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.984 -1.072 . . . . 0.0 110.819 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' H' ' 13' ' ' ASP . 0.7 OUTLIER -101.94 3.38 38.98 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' ASP . . . . . 0.587 ' HA ' ' CE1' ' H' ' 28' ' ' TYR . 13.0 t70 178.47 153.75 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.399 -0.813 . . . . 0.0 109.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' H' ' 13' ' ' ASP . 1.0 OUTLIER -46.44 116.49 3.72 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 108.917 -179.952 -100.169 32.514 -119.197 104.229 2.021 104.283 -78.577 65.363 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' PRO . . . . . 0.629 ' CB ' ' CZ ' ' H' ' 17' ' ' PHE . 35.5 Cg_endo -76.09 155.52 38.01 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.464 2.109 . . . . 0.0 111.365 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.27 -27.9 58.33 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' H' ' 15' ' ' PRO . 12.4 p90 -85.94 -23.19 27.06 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.205 -1.174 . . . . 0.0 109.25 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' CYS . . . . . 0.578 ' CB ' ' HG2' ' H' ' 15' ' ' PRO . 4.0 t -122.84 73.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.341 179.229 -155.213 128.975 85.239 104.203 2.019 104.517 58.726 177.113 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -21.72 10.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.313 -0.867 . . . . 0.0 109.197 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' H' ' 18' ' ' CYS . 61.2 m -105.59 120.58 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' CYS . . . . . 0.53 ' SG ' ' CD2' ' H' ' 28' ' ' TYR . 31.2 p -155.67 -173.61 4.61 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.109 -0.994 . . . . 0.0 110.088 -179.26 65.363 -78.577 -119.197 104.283 2.021 104.229 32.514 -100.169 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' LYS . . . . . 0.684 ' O ' HD12 ' H' ' 29' ' ' ILE . 18.5 mttt -152.35 136.98 16.92 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ALA . . . . . 0.605 ' HB2' ' CZ ' ' H' ' 28' ' ' TYR . . . -94.17 106.43 18.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.057 -1.027 . . . . 0.0 109.586 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' GLU . . . . . 0.628 ' HB3' ' CE1' ' H' ' 25' ' ' PHE . 43.8 mm-40 -128.7 152.6 48.23 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.235 -0.915 . . . . 0.0 109.553 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' H' ' 24' ' ' GLU . 0.0 OUTLIER 50.83 17.85 0.45 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.438 -0.789 . . . . 0.0 110.439 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.74 18.73 Favored Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.678 -1.248 . . . . 0.0 111.493 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' LYS . . . . . 0.404 ' HD2' HG21 ' H' ' 10' ' ' THR . 3.3 ptpt -102.06 -167.79 1.45 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.712 -1.464 . . . . 0.0 109.675 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' TYR . . . . . 0.828 ' O ' HG22 ' H' ' 10' ' ' THR . 3.5 m-85 -117.96 171.72 7.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.29 -0.881 . . . . 0.0 109.528 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' ILE . . . . . 0.684 HD12 ' O ' ' H' ' 22' ' ' LYS . 2.8 mp -142.59 128.71 17.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' CYS . . . . . 0.499 ' HB2' ' OH ' ' H' ' 11' ' ' TYR . 42.1 t -90.28 142.17 27.99 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.352 -0.842 . . . . 0.0 110.076 -179.249 177.113 58.726 85.239 104.517 2.019 104.203 128.975 -155.213 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.2 40.89 3.16 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.08 177.77 4.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.659 -0.651 . . . . 0.0 110.137 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' LEU . . . . . 0.516 ' C ' HD12 ' H' ' 34' ' ' ILE . 1.6 mp -134.08 114.09 12.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.416 -0.803 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' ILE . . . . . 0.723 HG22 ' HD3' ' H' ' 36' ' ' PRO . 1.3 mp -158.49 151.55 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 0.0 109.16 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -166.3 79.09 1.1 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.442 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' PRO . . . . . 0.723 ' HD3' HG22 ' H' ' 34' ' ' ILE . 34.7 Cg_endo -77.37 4.71 5.68 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.569 2.179 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' H' ' 36' ' ' PRO . 0.4 OUTLIER 178.64 -161.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' ASP . . . . . 0.447 ' O ' ' SG ' ' H' ' 39' ' ' CYS . 0.2 OUTLIER -60.68 -60.99 2.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 109.314 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' H' ' 38' ' ' ASP . 1.0 OUTLIER -176.85 -175.25 0.6 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.896 -100.719 -110.88 125.577 104.302 2.02 104.196 149.032 51.365 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.511 HG12 ' O ' ' H' ' 40' ' ' VAL . 17.5 t -102.65 38.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.895 . . . . 0.0 109.518 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.794 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.922 . . . . . . . . 1 1 . 1 stop_ save_