data_1kdu_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 1kdu _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' -1' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.45 -55.14 2.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.116 0.885 . . . . 0.0 108.949 -179.989 -58.405 68.677 58.558 104.571 2.02 103.738 53.694 -113.198 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.436 ' CE2' ' HD2' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -100.02 98.83 9.53 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.33 88.1 2.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.21 -130.66 10.3 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.8 -33.24 4.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 124.154 0.561 . . . . 0.0 111.041 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.94 108.43 0.14 Allowed Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.594 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.519 ' CD2' ' H ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -78.25 -80.43 0.11 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.3 -0.95 . . . . 0.0 108.447 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -88.42 8.45 27.71 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.897 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.94 82.34 1.21 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 24.01 86.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -119.02 57.53 0.55 Allowed Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 69.6 0.8 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.831 0.96 . . . . 0.0 109.011 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' HB1' ' SG ' ' A' ' 51' ' ' CYS . . . -138.83 118.12 12.75 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 22' ' ' CYS . 4.7 p -101.69 38.62 1.58 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.764 -2.31 . . . . 0.0 104.764 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 p -150.39 118.61 6.36 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.917 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -98.78 173.33 6.93 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.716 0.635 . . . . 0.0 111.025 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.457 ' C ' ' H ' ' A' ' 19' ' ' GLY . 10.5 p -37.71 -54.32 1.21 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 126.47 2.356 . . . . 0.0 117.063 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -75.49 13.57 0.75 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.547 0.689 . . . . 0.0 111.422 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 17' ' ' THR . . . 68.77 28.04 73.4 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -99.6 127.04 35.23 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -62.34 121.25 9.17 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 N-CA-C 120.36 3.177 . . . . 0.0 120.36 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -82.76 148.45 27.82 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.419 152.095 81.329 53.32 106.477 2.02 101.865 171.294 -152.682 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.596 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -122.16 -174.67 0.32 Allowed Pre-proline 0 CA--C 1.592 2.595 0 N-CA-C 121.6 3.926 . . . . 0.0 121.6 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD2' ' CB ' ' A' ' 23' ' ' LEU . 17.5 Cg_exo -53.81 141.15 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 124.667 3.578 . . . . 0.0 109.694 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.606 ' CD1' ' CE1' ' A' ' 48' A HIS . 84.4 m95 -81.67 -44.71 16.78 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 125.019 2.342 . . . . 0.0 110.126 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' H ' HD21 ' A' ' 26' ' ' ASN 0.289 0.0 OUTLIER -80.52 15.04 1.79 Allowed 'General case' 0 C--N 1.29 -2.007 1 CA-C-N 108.313 -4.039 . . . . 0.0 109.78 179.927 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.0 p -66.85 151.16 48.06 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.202 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -13.31 5.96 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 m -98.76 -48.9 4.77 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.803 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 55.9 t -77.03 -43.3 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.287 0 C-N-CA 118.225 -1.39 . . . . 0.0 107.345 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 40' ' ' HIS . 3.1 tm? -49.48 -24.85 2.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.611 2.444 . . . . 0.0 108.414 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -38.65 30.99 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.896 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -148.73 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 113.108 -1.86 . . . . 0.0 111.741 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.2 m -107.13 -17.59 14.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.46 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 25.9 m-85 -131.2 96.98 4.15 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -141.76 177.87 7.88 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 110.366 -3.106 . . . . 0.0 115.198 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.4 -13.29 12.55 Favored 'General case' 0 N--CA 1.493 1.682 1 CA-C-N 107.832 -4.258 . . . . 0.0 114.094 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 32' ' ' LEU 0.317 0.8 OUTLIER -67.3 -52.52 39.44 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 111.464 -2.607 . . . . 0.0 114.249 -177.804 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -78.76 112.5 15.95 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.3 m -41.53 -35.75 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.9 -35.37 69.71 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.2 -48.65 34.69 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 122.251 1.024 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' A LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -41.99 95.64 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 111.354 -2.657 . . . . 0.0 109.709 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' B GLN . . . . . . . . . . . . . 28.0 tt0 -72.06 -12.39 61.2 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 125.573 1.795 . . . . 0.0 111.405 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' C LEU . . . . . . . . . . . . . 7.2 tp -97.57 -22.85 16.28 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.001 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.29 -3.86 0.13 Allowed Glycine 0 N--CA 1.493 2.437 0 CA-C-O 117.137 -1.924 . . . . 0.0 116.914 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HA ' ' NE2' ' A' ' 48' A HIS . 23.1 mt -100.93 168.14 9.82 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.814 2.307 . . . . 0.0 114.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.646 ' H ' ' CD2' ' A' ' 48' A HIS . . . -161.91 46.91 0.36 Allowed Glycine 0 N--CA 1.507 3.419 0 C-N-CA 117.091 -2.481 . . . . 0.0 112.886 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 47.71 27.66 1.11 Allowed 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.148 -1.526 . . . . 0.0 112.865 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' A HIS . . . . . 0.646 ' CD2' ' H ' ' A' ' 47' ' ' GLY . 3.5 p80 -79.72 -167.76 1.35 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 4.5 m-20 -135.83 52.4 2.0 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 127.368 2.918 . . . . 0.0 104.202 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 49' ' ' ASN . 47.7 m-85 -149.2 158.16 43.95 Favored 'General case' 0 C--N 1.294 -1.829 1 N-CA-C 122.642 4.312 . . . . 0.0 122.642 -177.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -62.75 114.96 3.92 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 113.422 -1.717 . . . . 0.0 111.483 179.573 29.622 -160.495 -59.136 105.915 2.02 106.412 156.035 -122.395 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -133.7 -157.7 0.83 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 113.346 -1.752 . . . . 0.0 108.985 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -104.02 47.02 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 121.657 3.947 . . . . 0.0 121.657 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.541 ' HG3' ' CZ3' ' A' ' 25' ' ' TRP . 2.6 Cg_exo -55.62 -7.27 1.34 Allowed 'Trans proline' 0 C--N 1.301 -1.962 0 CA-C-N 120.883 1.351 . . . . 0.0 115.074 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -128.09 -75.12 0.57 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 123.468 0.48 . . . . 0.0 111.888 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 151.08 47.91 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.468 ' HB2' ' CD1' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -73.29 149.12 42.94 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -13.28 0.15 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.86 145.46 13.68 Favored Pre-proline 0 N--CA 1.491 1.604 0 N-CA-C 106.455 -1.684 . . . . 0.0 106.455 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD2' ' CE2' ' A' ' 2' ' ' TYR . 11.4 Cg_exo -48.37 133.39 25.22 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 C-N-CA 122.151 1.901 . . . . 0.0 110.718 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.501 ' N ' ' CD1' ' A' ' 62' ' ' TRP . 8.7 p-90 -126.01 -179.12 4.55 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 124.049 0.843 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 2.7 t -166.7 164.36 16.7 Favored 'General case' 0 N--CA 1.506 2.349 0 CA-C-N 113.38 -1.736 . . . . 0.0 111.288 179.918 -152.682 171.294 53.32 101.865 2.02 106.477 81.329 152.095 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' HG21 ' A' ' 72' ' ' VAL . 73.1 m-85 -97.43 150.33 21.15 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 101.689 -3.448 . . . . 0.0 101.689 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' A' ' 22' ' ' CYS . 62.1 t -132.16 103.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 123.673 0.608 . . . . 0.0 111.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' H ' HD13 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -59.46 116.47 3.99 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.461 179.318 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' A VAL . . . . . . . . . . . . . 87.1 t -130.16 99.64 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 CA-C-N 113.594 -1.639 . . . . 0.0 106.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.43 57.11 21.51 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.94 33.92 17.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 124.459 0.74 . . . . 0.0 110.734 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -140.07 87.32 12.49 Favored Pre-proline 0 N--CA 1.499 1.994 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.615 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -67.62 117.26 4.73 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.597 2.198 . . . . 0.0 106.531 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.19 128.21 44.34 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.508 1.13 . . . . 0.0 113.415 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 63' ' ' CYS . 59.2 t -79.56 133.28 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 123.679 1.704 . . . . 0.0 113.376 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -144.29 128.31 17.52 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 100.606 -3.85 . . . . 0.0 100.606 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.23 162.23 12.37 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.45 153.0 21.17 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.786 179.937 -122.395 156.035 -59.136 106.412 2.02 105.915 -160.495 29.622 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.3 ttp -78.12 34.75 0.2 Allowed 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.923 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 m -79.43 -158.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.459 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -77.24 55.6 1.22 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 124.474 1.109 . . . . 0.0 112.151 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -84.06 -16.5 43.58 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 113.779 -1.555 . . . . 0.0 113.967 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 62.55 75.46 0.4 Allowed 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 122.289 1.042 . . . . 0.0 108.851 -179.799 -113.198 53.694 58.558 103.738 2.02 104.571 68.677 -58.405 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.32 55.87 3.72 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.088 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 116.129 -1.891 . . . . 0.0 112.076 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.45 -55.14 2.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.116 0.885 . . . . 0.0 108.949 -179.989 -58.405 68.677 58.558 104.571 2.02 103.738 53.694 -113.198 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.497 ' CE2' ' HD2' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -100.02 98.83 9.53 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.33 88.1 2.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.21 -130.66 10.3 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.8 -33.24 4.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 124.154 0.561 . . . . 0.0 111.041 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.94 108.43 0.14 Allowed Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.594 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -80.43 0.11 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.3 -0.95 . . . . 0.0 108.447 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -88.42 8.45 27.71 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.897 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.568 ' C ' HH12 ' A' ' 52' ' ' ARG . 2.1 t80 -72.94 82.34 1.21 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 24.01 86.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' CZ ' ' A' ' 52' ' ' ARG . . . -119.02 57.53 0.55 Allowed Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 69.6 0.8 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.831 0.96 . . . . 0.0 109.011 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.89 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . . . -138.83 118.12 12.75 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 22' ' ' CYS . 4.7 p -101.69 38.62 1.58 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.764 -2.31 . . . . 0.0 104.764 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 p -150.39 118.61 6.36 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.917 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.696 ' OD2' HG21 ' A' ' 65' ' ' VAL . 1.2 p30 -98.78 173.33 6.93 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.716 0.635 . . . . 0.0 111.025 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 74' ' ' GLU . 10.5 p -37.71 -54.32 1.21 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 126.47 2.356 . . . . 0.0 117.063 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -75.49 13.57 0.75 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.547 0.689 . . . . 0.0 111.422 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 17' ' ' THR . . . 68.77 28.04 73.4 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' HB3' HG11 ' A' ' 65' ' ' VAL . 2.8 mtm180 -99.6 127.04 35.23 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.675 ' O ' HG13 ' A' ' 65' ' ' VAL . 6.6 Cg_endo -62.34 121.25 9.17 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 N-CA-C 120.36 3.177 . . . . 0.0 120.36 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.705 ' SG ' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -82.76 148.45 27.82 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.419 152.095 81.329 53.32 106.477 2.02 101.865 171.294 -152.682 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.667 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -122.16 -174.67 0.32 Allowed Pre-proline 0 CA--C 1.592 2.595 0 N-CA-C 121.6 3.926 . . . . 0.0 121.6 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 17.5 Cg_exo -53.81 141.15 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 124.667 3.578 . . . . 0.0 109.694 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.611 ' CZ3' ' HG3' ' A' ' 54' ' ' PRO . 84.4 m95 -81.67 -44.71 16.78 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 125.019 2.342 . . . . 0.0 110.126 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.289 5.3 p-10 -80.52 15.04 1.79 Allowed 'General case' 0 C--N 1.29 -2.007 1 CA-C-N 108.313 -4.039 . . . . 0.0 109.78 179.927 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.443 ' HB3' ' HB2' ' A' ' 24' ' ' PRO . 6.0 p -66.85 151.16 48.06 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.202 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -13.31 5.96 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 m -98.76 -48.9 4.77 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.803 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 55.9 t -77.03 -43.3 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.287 0 C-N-CA 118.225 -1.39 . . . . 0.0 107.345 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' CD2' ' HB2' ' A' ' 40' ' ' HIS . 3.1 tm? -49.48 -24.85 2.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.611 2.444 . . . . 0.0 108.414 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -38.65 30.99 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.896 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -148.73 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 113.108 -1.86 . . . . 0.0 111.741 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.2 m -107.13 -17.59 14.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 25.9 m-85 -131.2 96.98 4.15 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 32' ' ' LEU . 2.6 p80 -141.76 177.87 7.88 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 110.366 -3.106 . . . . 0.0 115.198 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' O ' HD11 ' A' ' 44' A LEU . . . -60.4 -13.29 12.55 Favored 'General case' 0 N--CA 1.493 1.682 1 CA-C-N 107.832 -4.258 . . . . 0.0 114.094 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 32' ' ' LEU 0.317 3.5 t60 -67.3 -52.52 39.44 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 111.464 -2.607 . . . . 0.0 114.249 -177.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.67 ' CG ' ' HB2' ' A' ' 44' ' ' ALA . 6.5 ptm180 -78.76 112.5 15.95 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.3 m -41.53 -35.75 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.9 -35.37 69.71 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.67 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . . . -48.2 -48.65 34.69 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 122.251 1.024 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' A LEU . . . . . 0.529 HD11 ' O ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -64.69 -41.99 95.64 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 111.354 -2.657 . . . . 0.0 109.709 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' B GLN . . . . . . . . . . . . . 28.0 tt0 -72.06 -12.39 61.2 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 125.573 1.795 . . . . 0.0 111.405 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' C LEU . . . . . . . . . . . . . 7.2 tp -97.57 -22.85 16.28 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.001 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.29 -3.86 0.13 Allowed Glycine 0 N--CA 1.493 2.437 0 CA-C-O 117.137 -1.924 . . . . 0.0 116.914 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 54' ' ' PRO . 23.1 mt -100.93 168.14 9.82 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.814 2.307 . . . . 0.0 114.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.676 ' H ' ' CD2' ' A' ' 48' A HIS . . . -161.91 46.91 0.36 Allowed Glycine 0 N--CA 1.507 3.419 0 C-N-CA 117.091 -2.481 . . . . 0.0 112.886 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 47.71 27.66 1.11 Allowed 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.148 -1.526 . . . . 0.0 112.865 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' A HIS . . . . . 0.676 ' CD2' ' H ' ' A' ' 47' ' ' GLY . 3.5 p80 -79.72 -167.76 1.35 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.697 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 4.5 m-20 -135.83 52.4 2.0 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 127.368 2.918 . . . . 0.0 104.202 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.705 ' HA ' ' SG ' ' A' ' 22' ' ' CYS . 47.7 m-85 -149.2 158.16 43.95 Favored 'General case' 0 C--N 1.294 -1.829 1 N-CA-C 122.642 4.312 . . . . 0.0 122.642 -177.442 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.89 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -62.75 114.96 3.92 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 113.422 -1.717 . . . . 0.0 111.483 179.573 29.622 -160.495 -59.136 105.915 2.02 106.412 156.035 -122.395 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.568 HH12 ' C ' ' A' ' 9' ' ' TYR . 20.6 mmt180 -133.7 -157.7 0.83 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 113.346 -1.752 . . . . 0.0 108.985 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 24.3 t30 -104.02 47.02 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 121.657 3.947 . . . . 0.0 121.657 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.689 ' HB3' HD11 ' A' ' 46' ' ' LEU . 2.6 Cg_exo -55.62 -7.27 1.34 Allowed 'Trans proline' 0 C--N 1.301 -1.962 0 CA-C-N 120.883 1.351 . . . . 0.0 115.074 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -128.09 -75.12 0.57 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 123.468 0.48 . . . . 0.0 111.888 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 151.08 47.91 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.514 ' HB2' ' CD1' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -73.29 149.12 42.94 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -13.28 0.15 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.86 145.46 13.68 Favored Pre-proline 0 N--CA 1.491 1.604 0 N-CA-C 106.455 -1.684 . . . . 0.0 106.455 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.497 ' HD2' ' CE2' ' A' ' 2' ' ' TYR . 11.4 Cg_exo -48.37 133.39 25.22 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 C-N-CA 122.151 1.901 . . . . 0.0 110.718 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.52 ' CH2' ' HG2' ' A' ' 54' ' ' PRO . 8.7 p-90 -126.01 -179.12 4.55 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 124.049 0.843 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 51' ' ' CYS . 2.7 t -166.7 164.36 16.7 Favored 'General case' 0 N--CA 1.506 2.349 0 CA-C-N 113.38 -1.736 . . . . 0.0 111.288 179.918 -152.682 171.294 53.32 101.865 2.02 106.477 81.329 152.095 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.435 ' CD2' HG23 ' A' ' 72' ' ' VAL . 73.1 m-85 -97.43 150.33 21.15 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 101.689 -3.448 . . . . 0.0 101.689 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.696 HG21 ' OD2' ' A' ' 16' ' ' ASP . 62.1 t -132.16 103.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 123.673 0.608 . . . . 0.0 111.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' H ' HD11 ' A' ' 23' ' ' LEU . 1.7 mm100 -59.46 116.47 3.99 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.461 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' A VAL . . . . . 0.506 HG23 HG12 ' A' ' 65' ' ' VAL . 87.1 t -130.16 99.64 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 CA-C-N 113.594 -1.639 . . . . 0.0 106.895 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.43 57.11 21.51 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.94 33.92 17.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 124.459 0.74 . . . . 0.0 110.734 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -140.07 87.32 12.49 Favored Pre-proline 0 N--CA 1.499 1.994 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.615 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -67.62 117.26 4.73 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.597 2.198 . . . . 0.0 106.531 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.19 128.21 44.34 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.508 1.13 . . . . 0.0 113.415 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 64' ' ' TYR . 59.2 t -79.56 133.28 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 123.679 1.704 . . . . 0.0 113.376 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -144.29 128.31 17.52 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 100.606 -3.85 . . . . 0.0 100.606 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 17' ' ' THR . 4.1 mt-10 -63.23 162.23 12.37 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -89.45 153.0 21.17 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.786 179.937 -122.395 156.035 -59.136 106.412 2.02 105.915 -160.495 29.622 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.3 ttp -78.12 34.75 0.2 Allowed 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.923 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 m -79.43 -158.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.459 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -77.24 55.6 1.22 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 124.474 1.109 . . . . 0.0 112.151 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 2' ' ' TYR . 2.5 p-10 -84.06 -16.5 43.58 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 113.779 -1.555 . . . . 0.0 113.967 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 62.55 75.46 0.4 Allowed 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 122.289 1.042 . . . . 0.0 108.851 -179.799 -113.198 53.694 58.558 103.738 2.02 104.571 68.677 -58.405 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.32 55.87 3.72 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.088 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 116.129 -1.891 . . . . 0.0 112.076 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 69.8 m -120.45 -55.14 2.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.116 0.885 . . . . 0.0 108.949 -179.989 -58.405 68.677 58.558 104.571 2.02 103.738 53.694 -113.198 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.497 ' CE2' ' HD2' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -100.02 98.83 9.53 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.33 88.1 2.03 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.21 -130.66 10.3 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.8 -33.24 4.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 124.154 0.561 . . . . 0.0 111.041 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.94 108.43 0.14 Allowed Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.594 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.601 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -78.25 -80.43 0.11 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.3 -0.95 . . . . 0.0 108.447 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -88.42 8.45 27.71 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.897 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.568 ' C ' HH12 ' A' ' 52' ' ' ARG . 2.1 t80 -72.94 82.34 1.21 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 24.01 86.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' CZ ' ' A' ' 52' ' ' ARG . . . -119.02 57.53 0.55 Allowed Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 69.6 0.8 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 124.831 0.96 . . . . 0.0 109.011 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.89 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . . . -138.83 118.12 12.75 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 22' ' ' CYS . 4.7 p -101.69 38.62 1.58 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.764 -2.31 . . . . 0.0 104.764 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 p -150.39 118.61 6.36 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-N 113.624 -1.625 . . . . 0.0 108.917 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.696 ' OD2' HG21 ' A' ' 65' ' ' VAL . 1.2 p30 -98.78 173.33 6.93 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 123.716 0.635 . . . . 0.0 111.025 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 74' ' ' GLU . 10.5 p -37.71 -54.32 1.21 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 126.47 2.356 . . . . 0.0 117.063 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -75.49 13.57 0.75 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.547 0.689 . . . . 0.0 111.422 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 17' ' ' THR . . . 68.77 28.04 73.4 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' HB3' HG11 ' A' ' 65' ' ' VAL . 2.8 mtm180 -99.6 127.04 35.23 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.675 ' O ' HG13 ' A' ' 65' ' ' VAL . 6.6 Cg_endo -62.34 121.25 9.17 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 N-CA-C 120.36 3.177 . . . . 0.0 120.36 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.705 ' SG ' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -82.76 148.45 27.82 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.419 152.095 81.329 53.32 106.477 2.02 101.865 171.294 -152.682 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.667 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -122.16 -174.67 0.32 Allowed Pre-proline 0 CA--C 1.592 2.595 0 N-CA-C 121.6 3.926 . . . . 0.0 121.6 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 17.5 Cg_exo -53.81 141.15 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 124.667 3.578 . . . . 0.0 109.694 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.611 ' CZ3' ' HG3' ' A' ' 54' ' ' PRO . 84.4 m95 -81.67 -44.71 16.78 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 125.019 2.342 . . . . 0.0 110.126 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.578 ' H ' HD22 ' A' ' 26' ' ' ASN 0.289 0.0 OUTLIER -80.52 15.04 1.79 Allowed 'General case' 0 C--N 1.29 -2.007 1 CA-C-N 108.313 -4.039 . . . . 0.0 109.78 179.927 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.443 ' HB3' ' HB2' ' A' ' 24' ' ' PRO . 6.0 p -66.85 151.16 48.06 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.202 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -13.31 5.96 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.861 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 m -98.76 -48.9 4.77 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.803 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 55.9 t -77.03 -43.3 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.287 0 C-N-CA 118.225 -1.39 . . . . 0.0 107.345 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' CD2' ' HB2' ' A' ' 40' ' ' HIS . 3.1 tm? -49.48 -24.85 2.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.611 2.444 . . . . 0.0 108.414 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -38.65 30.99 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.896 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -148.73 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 113.108 -1.86 . . . . 0.0 111.741 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.2 m -107.13 -17.59 14.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 25.9 m-85 -131.2 96.98 4.15 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 32' ' ' LEU . 2.6 p80 -141.76 177.87 7.88 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 110.366 -3.106 . . . . 0.0 115.198 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' O ' HD11 ' A' ' 44' A LEU . . . -60.4 -13.29 12.55 Favored 'General case' 0 N--CA 1.493 1.682 1 CA-C-N 107.832 -4.258 . . . . 0.0 114.094 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 32' ' ' LEU 0.317 0.8 OUTLIER -67.3 -52.52 39.44 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-N 111.464 -2.607 . . . . 0.0 114.249 -177.804 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.67 ' CG ' ' HB2' ' A' ' 44' ' ' ALA . 6.5 ptm180 -78.76 112.5 15.95 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.3 m -41.53 -35.75 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.9 -35.37 69.71 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.67 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . . . -48.2 -48.65 34.69 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 122.251 1.024 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' A LEU . . . . . 0.529 HD11 ' O ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -64.69 -41.99 95.64 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 111.354 -2.657 . . . . 0.0 109.709 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' B GLN . . . . . . . . . . . . . 28.0 tt0 -72.06 -12.39 61.2 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 125.573 1.795 . . . . 0.0 111.405 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' C LEU . . . . . 0.536 HD11 ' ND2' ' A' ' 56' ' ' ASN . 7.2 tp -97.57 -22.85 16.28 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.001 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.29 -3.86 0.13 Allowed Glycine 0 N--CA 1.493 2.437 0 CA-C-O 117.137 -1.924 . . . . 0.0 116.914 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 54' ' ' PRO . 23.1 mt -100.93 168.14 9.82 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.814 2.307 . . . . 0.0 114.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.676 ' H ' ' CD2' ' A' ' 48' A HIS . . . -161.91 46.91 0.36 Allowed Glycine 0 N--CA 1.507 3.419 0 C-N-CA 117.091 -2.481 . . . . 0.0 112.886 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 47.71 27.66 1.11 Allowed 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 113.148 -1.526 . . . . 0.0 112.865 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' A HIS . . . . . 0.676 ' CD2' ' H ' ' A' ' 47' ' ' GLY . 3.5 p80 -79.72 -167.76 1.35 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.697 ' HA ' ' HA ' ' A' ' 24' ' ' PRO . 4.5 m-20 -135.83 52.4 2.0 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 127.368 2.918 . . . . 0.0 104.202 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.705 ' HA ' ' SG ' ' A' ' 22' ' ' CYS . 47.7 m-85 -149.2 158.16 43.95 Favored 'General case' 0 C--N 1.294 -1.829 1 N-CA-C 122.642 4.312 . . . . 0.0 122.642 -177.442 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.89 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -62.75 114.96 3.92 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 113.422 -1.717 . . . . 0.0 111.483 179.573 29.622 -160.495 -59.136 105.915 2.02 106.412 156.035 -122.395 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.568 HH12 ' C ' ' A' ' 9' ' ' TYR . 20.6 mmt180 -133.7 -157.7 0.83 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 113.346 -1.752 . . . . 0.0 108.985 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 24.3 t30 -104.02 47.02 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 121.657 3.947 . . . . 0.0 121.657 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.689 ' HB3' HD11 ' A' ' 46' ' ' LEU . 2.6 Cg_exo -55.62 -7.27 1.34 Allowed 'Trans proline' 0 C--N 1.301 -1.962 0 CA-C-N 120.883 1.351 . . . . 0.0 115.074 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -128.09 -75.12 0.57 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 123.468 0.48 . . . . 0.0 111.888 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.536 ' ND2' HD11 ' A' ' 44' C LEU . 0.3 OUTLIER 151.08 47.91 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.514 ' HB2' ' CD1' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -73.29 149.12 42.94 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -13.28 0.15 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.86 145.46 13.68 Favored Pre-proline 0 N--CA 1.491 1.604 0 N-CA-C 106.455 -1.684 . . . . 0.0 106.455 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.497 ' HD2' ' CE2' ' A' ' 2' ' ' TYR . 11.4 Cg_exo -48.37 133.39 25.22 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 C-N-CA 122.151 1.901 . . . . 0.0 110.718 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.52 ' CH2' ' HG2' ' A' ' 54' ' ' PRO . 8.7 p-90 -126.01 -179.12 4.55 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 124.049 0.843 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 51' ' ' CYS . 2.7 t -166.7 164.36 16.7 Favored 'General case' 0 N--CA 1.506 2.349 0 CA-C-N 113.38 -1.736 . . . . 0.0 111.288 179.918 -152.682 171.294 53.32 101.865 2.02 106.477 81.329 152.095 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.435 ' CD2' HG23 ' A' ' 72' ' ' VAL . 73.1 m-85 -97.43 150.33 21.15 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 101.689 -3.448 . . . . 0.0 101.689 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.696 HG21 ' OD2' ' A' ' 16' ' ' ASP . 62.1 t -132.16 103.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 123.673 0.608 . . . . 0.0 111.941 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' H ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -59.46 116.47 3.99 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.461 179.318 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' A VAL . . . . . 0.506 HG23 HG12 ' A' ' 65' ' ' VAL . 87.1 t -130.16 99.64 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 CA-C-N 113.594 -1.639 . . . . 0.0 106.895 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.43 57.11 21.51 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HA ' HE22 ' A' ' 66' ' ' GLN . 0.4 OUTLIER 61.94 33.92 17.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 124.459 0.74 . . . . 0.0 110.734 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -140.07 87.32 12.49 Favored Pre-proline 0 N--CA 1.499 1.994 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.615 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -67.62 117.26 4.73 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.597 2.198 . . . . 0.0 106.531 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.19 128.21 44.34 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.508 1.13 . . . . 0.0 113.415 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 64' ' ' TYR . 59.2 t -79.56 133.28 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 123.679 1.704 . . . . 0.0 113.376 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -144.29 128.31 17.52 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 100.606 -3.85 . . . . 0.0 100.606 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 17' ' ' THR . 4.1 mt-10 -63.23 162.23 12.37 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -89.45 153.0 21.17 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.786 179.937 -122.395 156.035 -59.136 106.412 2.02 105.915 -160.495 29.622 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.3 ttp -78.12 34.75 0.2 Allowed 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.923 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.6 m -79.43 -158.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.459 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -77.24 55.6 1.22 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 124.474 1.109 . . . . 0.0 112.151 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 2' ' ' TYR . 2.5 p-10 -84.06 -16.5 43.58 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 113.779 -1.555 . . . . 0.0 113.967 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 62.55 75.46 0.4 Allowed 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 122.289 1.042 . . . . 0.0 108.851 -179.799 -113.198 53.694 58.558 103.738 2.02 104.571 68.677 -58.405 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.32 55.87 3.72 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.088 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 116.129 -1.891 . . . . 0.0 112.076 -179.893 . . . . . . . . 0 0 . 1 stop_ save_