data_1gd3_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 1gd3 _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' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.352 0.596 . . . . 10.449999999999999 110.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.514 HG21 HD12 ' A' ' 2' ' ' ILE . 18.4 pt -78.77 155.57 78.04 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.873 . . . . 7.8499999999999996 110.278 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.65 -178.01 3.47 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 124.003 1.528 . . . . 6.0499999999999998 110.487 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.95 74.81 0.37 Allowed Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.182 -1.567 . . . . 3.8599999999999999 109.182 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.87 -164.68 34.33 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.179 -1.568 . . . . 2.6200000000000001 109.179 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' CD2' ' HG2' ' A' ' 46' ' ' GLN . 24.6 mt -78.85 -176.33 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.117 -1.225 . . . . 1.9199999999999999 110.138 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.69 -156.64 0.1 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.366 -0.834 . . . . 1.5 110.997 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 1.8 tt0 -74.44 -137.21 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.887 0.851 . . . . 2.5499999999999998 110.722 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.58 117.26 0.95 Allowed 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.243 0.544 . . . . 1.3500000000000001 109.789 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.1 mtmt -121.07 169.19 9.35 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 2.7599999999999998 110.287 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 10' ' ' LYS . 39.8 Cg_endo -69.15 164.56 33.47 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.788 1.415 . . . . 0.70999999999999996 109.889 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' GLN . . . -106.13 123.55 48.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 1.1299999999999999 111.477 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.56 ' CG2' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -89.68 -170.4 0.24 Allowed Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.561 -0.903 . . . . 1.26 108.561 178.628 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.56 ' HD2' ' CG2' ' A' ' 13' ' ' THR . 42.3 Cg_endo -70.67 -36.47 8.33 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 O-C-N 122.989 0.994 . . . . 0.69999999999999996 109.658 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' CG ' ' N ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -62.57 -50.49 71.1 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.272 1.034 . . . . 1.3999999999999999 109.373 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.604 ' N ' ' CG ' ' A' ' 15' ' ' GLU . 25.1 mm -61.45 -34.46 61.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.49 -0.93 . . . . 1.3500000000000001 108.49 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' OE1' ' HB2' ' A' ' 40' ' ' ALA . 26.7 tp60 -73.45 -19.4 60.96 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.712 -0.848 . . . . 1.72 108.712 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -81.34 -40.1 24.08 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.962 -1.496 . . . . 1.5800000000000001 106.962 178.266 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.555 HG21 ' CG1' ' A' ' 69' ' ' VAL 0.272 0.4 OUTLIER -46.99 -45.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.747 -1.205 . . . . 1.6100000000000001 107.747 177.297 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 24' ' ' LYS . 24.0 t -66.14 -50.84 65.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.015 -1.106 . . . . 1.1399999999999999 108.015 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 25' ' ' PRO 0.28 3.6 m-20 -55.32 -14.08 1.67 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.729 0.776 . . . . 1.1599999999999999 110.472 178.239 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -73.49 -48.95 29.4 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.591 0.71 . . . . 2.25 109.587 -179.59 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' LEU . 5.7 t -120.12 -3.93 9.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.995 -0.682 . . . . 1.47 109.832 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.732 ' N ' ' HD2' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -74.72 -28.47 0.83 Allowed Pre-proline 0 C--N 1.307 -1.283 0 C-N-CA 118.632 -1.227 . . . . 1.76 109.818 177.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.732 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 39.6 Cg_endo -67.91 -45.89 2.81 Favored 'Trans proline' 0 CA--C 1.51 -0.687 0 N-CA-C 105.851 -2.403 . . . . 0.45000000000000001 105.851 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 2.8 tt0 -66.31 -39.12 89.08 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.208 -1.404 . . . . 1.8100000000000001 107.208 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 4.9 tt -51.42 -52.1 49.1 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 106.925 -1.509 . . . . 1.9199999999999999 106.925 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 25' ' ' PRO 0.278 0.4 OUTLIER -56.62 -46.94 80.65 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.702 -0.681 . . . . 1.24 109.983 178.205 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.26 7.79 15.31 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.45 -0.782 . . . . 2.3700000000000001 110.583 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -94.57 -54.44 3.51 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.062 -1.024 . . . . 2.1899999999999999 109.782 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.529 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 48.9 m -97.84 26.55 5.06 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.612 -1.625 . . . . 2.0499999999999998 106.612 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 31' ' ' THR . 9.1 p30 40.63 31.75 0.12 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.027 -1.101 . . . . 0.91000000000000003 108.027 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' THR . 2.1 tp10 -104.27 134.6 47.23 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.691 -0.804 . . . . 2.23 110.795 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.422 HG21 ' OE1' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -110.36 153.62 24.67 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.287 -0.883 . . . . 1.78 109.684 179.416 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -110.72 -62.52 1.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.0 -1.062 . . . . 2.2599999999999998 110.925 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 37' ' ' LYS . . . 137.95 34.34 0.19 Allowed Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.859 -1.163 . . . . 1.76 110.465 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 0.5 OUTLIER 63.56 81.67 0.2 Allowed 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.634 -0.921 . . . . 3.77 111.052 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.539 HD22 ' CG1' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -99.14 165.12 11.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.899 . . . . 2.1000000000000001 111.187 179.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -125.24 149.88 47.56 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.012 -0.736 . . . . 1.6599999999999999 109.012 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 57' ' ' VAL . . . -79.91 131.99 35.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 1.1100000000000001 111.814 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' O ' ' CG ' ' A' ' 42' ' ' GLN . 53.5 t -111.57 -25.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.535 -0.913 . . . . 1.1499999999999999 108.535 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' N ' ' HB3' ' A' ' 12' ' ' ALA . 32.9 mt-30 -159.06 175.24 13.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.803 -0.56 . . . . 1.77 109.667 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE2' HG13 ' A' ' 16' ' ' ILE . 18.4 p90 -177.43 -173.32 0.42 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.037 -1.039 . . . . 2.2599999999999998 111.117 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.539 ' CE ' ' O ' ' A' ' 8' ' ' GLU . 3.3 mtpt -161.21 -151.68 0.24 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.974 0.893 . . . . 1.8 109.519 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 44' ' ' LYS . 14.4 p -158.45 147.43 19.03 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.944 -1.132 . . . . 1.28 107.944 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.496 ' HG2' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.95 -149.79 0.44 Allowed 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.997 -1.064 . . . . 1.45 109.903 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -164.66 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 1.51 110.359 179.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 47' ' ' VAL . 2.9 t -143.46 -130.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.27 -0.894 . . . . 1.75 109.907 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.43 39.64 0.74 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.365 1.079 . . . . 1.3899999999999999 108.219 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 48' ' ' VAL . . . 164.96 -120.84 0.96 Allowed Glycine 0 N--CA 1.48 1.604 0 N-CA-C 106.213 -2.755 . . . . 0.76000000000000001 106.213 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.449 HG22 ' CE1' ' A' ' 53' ' ' TYR . 7.4 m -157.48 109.14 2.34 Favored 'General case' 0 C--N 1.283 -2.314 0 O-C-N 121.65 -0.912 . . . . 1.24 109.79 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 70' ' ' PHE . 2.4 m-20 -90.56 149.35 22.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.112 -0.993 . . . . 1.1799999999999999 110.508 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 1.7 m-85 -115.58 160.09 20.44 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.063 -1.023 . . . . 2.27 109.975 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.631 ' CE1' ' CD2' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -134.64 110.41 9.28 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 3.3500000000000001 108.143 178.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.566 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . 15.1 mm -112.3 126.17 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.732 -1.23 . . . . 2.0600000000000001 111.861 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HB2' ' NE2' ' A' ' 66' ' ' HIS . 28.7 tttt -87.98 113.03 23.23 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.513 -0.921 . . . . 1.8700000000000001 108.513 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -108.01 145.53 15.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.815 -1.178 . . . . 1.0600000000000001 110.565 -178.476 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.573 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 7.7 ttm180 -78.18 177.71 8.16 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.987 -1.071 . . . . 3.5600000000000001 108.219 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.573 ' N ' ' CG ' ' A' ' 58' ' ' ARG . . . -154.81 62.47 0.66 Allowed 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 118.435 -1.306 . . . . 1.1000000000000001 111.654 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . 122.92 29.97 1.18 Allowed Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.573 -1.299 . . . . 0.53000000000000003 110.035 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 62.4 m-20 60.64 16.21 6.4 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-O 121.592 0.71 . . . . 1.73 109.481 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -161.25 -34.12 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.826 -0.75 . . . . 1.96 111.93 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.513 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -87.45 178.67 6.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.782 -1.198 . . . . 2.5800000000000001 108.766 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 45.5 m-85 -145.95 179.89 7.16 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 118.566 -1.254 . . . . 2.21 111.988 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' VAL . 0.3 OUTLIER -156.59 -177.04 6.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.994 -0.743 . . . . 1.1599999999999999 108.994 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.59 ' O ' ' HB2' ' A' ' 86' ' ' GLN . 0.7 OUTLIER -160.83 110.27 1.68 Allowed 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.301 -1.0 . . . . 2.1600000000000001 108.301 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -128.03 168.85 14.73 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 119.596 -1.94 . . . . 1.3100000000000001 111.488 -177.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 84' ' ' GLY 0.272 0.0 OUTLIER -98.95 166.25 11.37 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 122.602 1.192 . . . . 2.21 114.212 -176.399 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.555 ' CG1' HG21 ' A' ' 19' ' ' ILE . 57.8 t -160.07 76.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.101 -1.444 . . . . 1.0800000000000001 107.101 176.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.59 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 9.6 t80 -77.69 138.75 39.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.337 -0.852 . . . . 2.2400000000000002 111.626 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' SER . 7.3 ttpp -116.68 96.47 5.51 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.29 0.567 . . . . 2.75 109.566 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.519 ' OG ' ' O ' ' A' ' 77' ' ' ASN . 79.3 p -58.28 -128.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.827 . . . . 1.9199999999999999 110.989 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -136.86 164.26 43.66 Favored Pre-proline 0 C--N 1.302 -1.496 0 O-C-N 121.178 -0.951 . . . . 1.75 109.178 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.509 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 41.0 Cg_endo -67.2 -47.94 2.03 Favored 'Trans proline' 0 C--N 1.296 -2.207 0 O-C-N 123.964 1.508 . . . . 1.25 110.753 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.78 -9.73 1.91 Allowed Glycine 0 N--CA 1.493 2.453 0 CA-C-N 115.628 -0.715 . . . . 1.3700000000000001 112.307 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.21 -83.36 0.31 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.454 -1.615 . . . . 2.3799999999999999 112.244 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' A' ' 79' ' ' ASP . 17.7 p-10 -125.26 43.53 3.03 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.839 -1.163 . . . . 1.9299999999999999 111.677 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 73' ' ' LEU . 2.1 pm0 -23.8 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.79 0.805 . . . . 1.78 112.018 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 77' ' ' ASN . 23.1 m-20 -41.98 168.98 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 CA-C-O 121.469 0.652 . . . . 1.29 109.855 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.528 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 1.4 mm? -92.86 172.36 8.38 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.99 -1.069 . . . . 1.25 111.319 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 80' ' ' LEU . 24.1 t -160.39 139.97 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.612 -0.68 . . . . 1.25 110.155 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.548 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -84.81 122.0 28.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.199 -0.938 . . . . 1.54 110.854 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.546 ' CB ' ' HG2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -93.26 -18.63 22.26 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 1.3700000000000001 110.486 179.036 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.649 ' O ' ' HB2' ' A' ' 68' ' ' LYS . . . 165.51 147.28 5.1 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.064 -1.614 . . . . 0.55000000000000004 109.064 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 67' ' ' LEU . 1.3 p90 -136.75 -162.56 1.3 Allowed 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.27 -1.723 . . . . 2.29 112.744 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 66' ' ' HIS 0.261 0.0 OUTLIER -153.98 158.65 40.94 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.826 -0.546 . . . . 1.8300000000000001 110.198 -177.363 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 33.4 m -112.86 -126.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.269 -0.894 . . . . 2.0299999999999998 110.744 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 8.7 m-20 -67.42 51.89 0.05 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.43 -0.794 . . . . 1.24 111.342 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' HG3' ' HG2' ' A' ' 86' ' ' GLN . 12.1 mmtt -64.68 -159.3 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.931 -1.106 . . . . 1.95 108.586 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.464 ' HB2' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -135.32 -168.66 2.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.893 -1.129 . . . . 2.0800000000000001 110.388 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.28 -34.09 21.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.418 -0.801 . . . . 2.9300000000000002 110.197 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.94 25.5 4.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.396 -0.815 . . . . 2.1000000000000001 110.637 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -81.9 176.65 9.39 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.178 -0.951 . . . . 1.3600000000000001 110.393 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.56 161.34 13.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 2.79 109.928 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.631 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 8.0 mt -127.28 -31.01 2.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.944 . . . . 1.5700000000000001 110.729 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.456 HG21 ' HG ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.18 -174.36 5.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.878 . . . . 2.6099999999999999 110.414 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' THR . . . 45.06 34.78 4.36 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.244 -1.542 . . . . 2.4100000000000001 109.244 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD1' ' OH ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.376 -1.073 . . . . 3.27 109.888 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.352 0.596 . . . . 10.19 110.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 pt -78.77 155.57 78.04 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.873 . . . . 7.54 110.278 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.65 -178.01 3.47 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 124.003 1.528 . . . . 5.3200000000000003 110.487 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.95 74.81 0.37 Allowed Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.182 -1.567 . . . . 3.3500000000000001 109.182 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.87 -164.68 34.33 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.179 -1.568 . . . . 2.3799999999999999 109.179 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.846 ' HG ' HG23 ' A' ' 96' ' ' THR . 24.6 mt -78.85 -176.33 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.117 -1.225 . . . . 1.4299999999999999 110.138 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.69 -156.64 0.1 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.366 -0.834 . . . . 1.29 110.997 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 1.8 tt0 -74.44 -137.21 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.887 0.851 . . . . 2.5499999999999998 110.722 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.58 117.26 0.95 Allowed 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.243 0.544 . . . . 0.89000000000000001 109.789 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.1 mtmt -121.07 169.19 9.35 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 2.3399999999999999 110.287 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 10' ' ' LYS . 39.8 Cg_endo -69.15 164.56 33.47 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.788 1.415 . . . . 0.67000000000000004 109.889 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 40' ' ' ALA . . . -106.13 123.55 48.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 0.53000000000000003 111.477 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.62 HG22 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -89.68 -170.4 0.24 Allowed Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.561 -0.903 . . . . 0.64000000000000001 108.561 178.628 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD2' HG22 ' A' ' 13' ' ' THR . 42.3 Cg_endo -70.67 -36.47 8.33 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 O-C-N 122.989 0.994 . . . . 0.65000000000000002 109.658 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' CG ' ' N ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -62.57 -50.49 71.1 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.272 1.034 . . . . 1.3999999999999999 109.373 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.709 HG21 ' CD2' ' A' ' 43' ' ' TYR . 25.1 mm -61.45 -34.46 61.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.49 -0.93 . . . . 0.73999999999999999 108.49 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 26.7 tp60 -73.45 -19.4 60.96 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.712 -0.848 . . . . 1.72 108.712 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.585 ' HA ' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -81.34 -40.1 24.08 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.962 -1.496 . . . . 1.4099999999999999 106.962 178.266 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.843 HG23 HG11 ' A' ' 69' ' ' VAL 0.272 0.4 OUTLIER -46.99 -45.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.747 -1.205 . . . . 1.05 107.747 177.297 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.779 HG23 HG13 ' A' ' 55' ' ' ILE . 24.0 t -66.14 -50.84 65.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.015 -1.106 . . . . 0.44 108.015 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.585 ' HB2' ' HA ' ' A' ' 18' ' ' GLU 0.28 3.6 m-20 -55.32 -14.08 1.67 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.729 0.776 . . . . 1.1599999999999999 110.472 178.239 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -73.49 -48.95 29.4 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.591 0.71 . . . . 1.75 109.587 -179.59 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.491 HG11 ' N ' ' A' ' 82' ' ' LEU . 5.7 t -120.12 -3.93 9.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.995 -0.682 . . . . 0.82999999999999996 109.832 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.771 ' N ' ' HD2' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -74.72 -28.47 0.83 Allowed Pre-proline 0 C--N 1.307 -1.283 0 C-N-CA 118.632 -1.227 . . . . 1.27 109.818 177.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.771 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 39.6 Cg_endo -67.91 -45.89 2.81 Favored 'Trans proline' 0 CA--C 1.51 -0.687 0 N-CA-C 105.851 -2.403 . . . . 0.40999999999999998 105.851 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 2.8 tt0 -66.31 -39.12 89.08 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.208 -1.404 . . . . 1.8100000000000001 107.208 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.836 ' HG ' HD22 ' A' ' 82' ' ' LEU . 4.9 tt -51.42 -52.1 49.1 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 106.925 -1.509 . . . . 1.3400000000000001 106.925 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 25' ' ' PRO 0.278 0.4 OUTLIER -56.62 -46.94 80.65 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.702 -0.681 . . . . 1.24 109.983 178.205 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.26 7.79 15.31 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.45 -0.782 . . . . 2.3700000000000001 110.583 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -94.57 -54.44 3.51 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.062 -1.024 . . . . 1.6799999999999999 109.782 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 31' ' ' THR . 48.9 m -97.84 26.55 5.06 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.612 -1.625 . . . . 1.48 106.612 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.5 p-10 40.63 31.75 0.12 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.027 -1.101 . . . . 0.91000000000000003 108.027 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 2.1 tp10 -104.27 134.6 47.23 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.691 -0.804 . . . . 2.23 110.795 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.431 ' HA ' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -110.36 153.62 24.67 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.287 -0.883 . . . . 1.4199999999999999 109.684 179.416 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.686 ' HE1' HG12 ' A' ' 87' ' ' VAL . 13.2 m-85 -110.72 -62.52 1.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.0 -1.062 . . . . 1.3700000000000001 110.925 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 37' ' ' LYS . . . 137.95 34.34 0.19 Allowed Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.859 -1.163 . . . . 1.76 110.465 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 0.5 OUTLIER 63.56 81.67 0.2 Allowed 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.634 -0.921 . . . . 3.4300000000000002 111.052 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.94 HD23 HG11 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -99.14 165.12 11.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.899 . . . . 1.48 111.187 179.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.695 ' C ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -125.24 149.88 47.56 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.012 -0.736 . . . . 1.6599999999999999 109.012 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 12' ' ' ALA . . . -79.91 131.99 35.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 0.39000000000000001 111.814 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.79 HG12 ' HG3' ' A' ' 42' ' ' GLN . 53.5 t -111.57 -25.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.535 -0.913 . . . . 0.45000000000000001 108.535 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.79 ' HG3' HG12 ' A' ' 41' ' ' VAL . 32.9 mt-30 -159.06 175.24 13.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.803 -0.56 . . . . 1.1399999999999999 109.667 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.881 ' HB2' HD13 ' A' ' 55' ' ' ILE . 18.4 p90 -177.43 -173.32 0.42 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.037 -1.039 . . . . 1.3700000000000001 111.117 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' ' 45' ' ' THR . 3.3 mtpt -161.21 -151.68 0.24 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.974 0.893 . . . . 1.3100000000000001 109.519 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 44' ' ' LYS . 14.4 p -158.45 147.43 19.03 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.944 -1.132 . . . . 0.75 107.944 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -107.95 -149.79 0.44 Allowed 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.997 -1.064 . . . . 1.45 109.903 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -164.66 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 0.98999999999999999 110.359 179.595 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 49' ' ' ALA . 2.9 t -143.46 -130.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.27 -0.894 . . . . 1.26 109.907 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' H ' HG12 ' A' ' 48' ' ' VAL . . . -84.43 39.64 0.74 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.365 1.079 . . . . 0.93999999999999995 108.219 178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.96 -120.84 0.96 Allowed Glycine 0 N--CA 1.48 1.604 0 N-CA-C 106.213 -2.755 . . . . 0.71999999999999997 106.213 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.413 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 7.4 m -157.48 109.14 2.34 Favored 'General case' 0 C--N 1.283 -2.314 0 O-C-N 121.65 -0.912 . . . . 0.69999999999999996 109.79 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 70' ' ' PHE . 2.4 m-20 -90.56 149.35 22.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.112 -0.993 . . . . 0.85999999999999999 110.508 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 53' ' ' TYR . 1.7 m-85 -115.58 160.09 20.44 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.063 -1.023 . . . . 1.3899999999999999 109.975 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.631 ' CE1' ' CD2' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -134.64 110.41 9.28 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 2.98 108.143 178.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.881 HD13 ' HB2' ' A' ' 43' ' ' TYR . 15.1 mm -112.3 126.17 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.732 -1.23 . . . . 1.49 111.861 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' HB2' ' NE2' ' A' ' 66' ' ' HIS . 28.7 tttt -87.98 113.03 23.23 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.513 -0.921 . . . . 1.28 108.513 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.94 HG11 HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -108.01 145.53 15.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.815 -1.178 . . . . 0.26000000000000001 110.565 -178.476 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.6 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 7.7 ttm180 -78.18 177.71 8.16 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.987 -1.071 . . . . 2.9900000000000002 108.219 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . . . -154.81 62.47 0.66 Allowed 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 118.435 -1.306 . . . . 0.42999999999999999 111.654 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . 122.92 29.97 1.18 Allowed Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.573 -1.299 . . . . 0.53000000000000003 110.035 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 62.4 m-20 60.64 16.21 6.4 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-O 121.592 0.71 . . . . 1.73 109.481 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -161.25 -34.12 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.826 -0.75 . . . . 1.23 111.93 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.918 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -87.45 178.67 6.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.782 -1.198 . . . . 2.1099999999999999 108.766 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' O ' HD12 ' A' ' 65' ' ' LEU . 45.5 m-85 -145.95 179.89 7.16 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 118.566 -1.254 . . . . 1.3100000000000001 111.988 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.681 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -156.59 -177.04 6.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.994 -0.743 . . . . 0.42999999999999999 108.994 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.846 ' C ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -160.83 110.27 1.68 Allowed 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.301 -1.0 . . . . 1.28 108.301 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.846 HD23 ' C ' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -128.03 168.85 14.73 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 119.596 -1.94 . . . . 0.65000000000000002 111.488 -177.115 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 84' ' ' GLY 0.272 0.0 OUTLIER -98.95 166.25 11.37 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 122.602 1.192 . . . . 1.75 114.212 -176.399 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.843 HG11 HG23 ' A' ' 19' ' ' ILE . 57.8 t -160.07 76.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.101 -1.444 . . . . 0.39000000000000001 107.101 176.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.59 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 9.6 t80 -77.69 138.75 39.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.337 -0.852 . . . . 1.3600000000000001 111.626 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' SER . 7.3 ttpp -116.68 96.47 5.51 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.29 0.567 . . . . 2.2400000000000002 109.566 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.519 ' OG ' ' O ' ' A' ' 77' ' ' ASN . 79.3 p -58.28 -128.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.827 . . . . 1.47 110.989 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -136.86 164.26 43.66 Favored Pre-proline 0 C--N 1.302 -1.496 0 O-C-N 121.178 -0.951 . . . . 1.1899999999999999 109.178 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.561 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 41.0 Cg_endo -67.2 -47.94 2.03 Favored 'Trans proline' 0 C--N 1.296 -2.207 0 O-C-N 123.964 1.508 . . . . 1.25 110.753 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.78 -9.73 1.91 Allowed Glycine 0 N--CA 1.493 2.453 0 CA-C-N 115.628 -0.715 . . . . 0.93999999999999995 112.307 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.21 -83.36 0.31 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.454 -1.615 . . . . 2.3799999999999999 112.244 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' A' ' 79' ' ' ASP . 17.7 p-10 -125.26 43.53 3.03 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.839 -1.163 . . . . 1.26 111.677 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 73' ' ' LEU . 2.1 pm0 -23.8 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.79 0.805 . . . . 1.78 112.018 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 77' ' ' ASN . 23.1 m-20 -41.98 168.98 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 CA-C-O 121.469 0.652 . . . . 1.29 109.855 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.742 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.4 mm? -92.86 172.36 8.38 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.99 -1.069 . . . . 0.63 111.319 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 80' ' ' LEU . 24.1 t -160.39 139.97 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.612 -0.68 . . . . 0.68999999999999995 110.155 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.836 HD22 ' HG ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -84.81 122.0 28.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.199 -0.938 . . . . 0.93000000000000005 110.854 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.555 ' CB ' ' HG2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -93.26 -18.63 22.26 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 0.77000000000000002 110.486 179.036 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 68' ' ' LYS . . . 165.51 147.28 5.1 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.064 -1.614 . . . . 0.48999999999999999 109.064 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 67' ' ' LEU . 1.3 p90 -136.75 -162.56 1.3 Allowed 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.27 -1.723 . . . . 1.3799999999999999 112.744 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 66' ' ' HIS 0.261 0.3 OUTLIER -153.98 158.65 40.94 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.826 -0.546 . . . . 1.8300000000000001 110.198 -177.363 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.686 HG12 ' HE1' ' A' ' 35' ' ' TYR . 33.4 m -112.86 -126.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.269 -0.894 . . . . 1.4299999999999999 110.744 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.603 ' N ' HG23 ' A' ' 87' ' ' VAL . 8.7 m-20 -67.42 51.89 0.05 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.43 -0.794 . . . . 1.24 111.342 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.494 ' HG3' ' HG2' ' A' ' 86' ' ' GLN . 12.1 mmtt -64.68 -159.3 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.931 -1.106 . . . . 1.3999999999999999 108.586 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.482 ' HB2' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -135.32 -168.66 2.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.893 -1.129 . . . . 2.0800000000000001 110.388 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.28 -34.09 21.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.418 -0.801 . . . . 2.4900000000000002 110.197 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.94 25.5 4.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.396 -0.815 . . . . 2.1000000000000001 110.637 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' OD1' ' HB2' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -81.9 176.65 9.39 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.178 -0.951 . . . . 1.3600000000000001 110.393 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.56 161.34 13.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 2.79 109.928 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.631 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 8.0 mt -127.28 -31.01 2.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.944 . . . . 1.1599999999999999 110.729 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.846 HG23 ' HG ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.18 -174.36 5.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.878 . . . . 2.3100000000000001 110.414 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' THR . . . 45.06 34.78 4.36 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.244 -1.542 . . . . 1.8700000000000001 109.244 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CD1' ' OH ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.376 -1.073 . . . . 3.27 109.888 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.352 0.596 . . . . 10.19 110.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 pt -78.77 155.57 78.04 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.873 . . . . 7.54 110.278 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.65 -178.01 3.47 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 124.003 1.528 . . . . 5.32 110.487 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.95 74.81 0.37 Allowed Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.182 -1.567 . . . . 3.35 109.182 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.87 -164.68 34.33 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.179 -1.568 . . . . 2.38 109.179 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.846 ' HG ' HG23 ' A' ' 96' ' ' THR . 24.6 mt -78.85 -176.33 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.117 -1.225 . . . . 1.43 110.138 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.69 -156.64 0.1 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.366 -0.834 . . . . 1.29 110.997 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 1.8 tt0 -74.44 -137.21 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.887 0.851 . . . . 2.55 110.722 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.58 117.26 0.95 Allowed 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.243 0.544 . . . . 0.89 109.789 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.1 mtmt -121.07 169.19 9.35 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 2.34 110.287 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 10' ' ' LYS . 39.8 Cg_endo -69.15 164.56 33.47 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.788 1.415 . . . . 0.67 109.889 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 40' ' ' ALA . . . -106.13 123.55 48.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.232 -0.918 . . . . 0.53 111.477 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.62 HG22 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -89.68 -170.4 0.24 Allowed Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.561 -0.903 . . . . 0.64 108.561 178.628 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD2' HG22 ' A' ' 13' ' ' THR . 42.3 Cg_endo -70.67 -36.47 8.33 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 O-C-N 122.989 0.994 . . . . 0.65 109.658 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.604 ' CG ' ' N ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -62.57 -50.49 71.1 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.272 1.034 . . . . 1.4 109.373 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.709 HG21 ' CD2' ' A' ' 43' ' ' TYR . 25.1 mm -61.45 -34.46 61.45 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.49 -0.93 . . . . 0.74 108.49 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 26.7 tp60 -73.45 -19.4 60.96 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.712 -0.848 . . . . 1.72 108.712 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.585 ' HA ' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -81.34 -40.1 24.08 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.962 -1.496 . . . . 1.41 106.962 178.266 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.843 HG23 HG11 ' A' ' 69' ' ' VAL 0.272 0.4 OUTLIER -46.99 -45.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.747 -1.205 . . . . 1.05 107.747 177.297 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.779 HG23 HG13 ' A' ' 55' ' ' ILE . 24.0 t -66.14 -50.84 65.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.015 -1.106 . . . . 0.44 108.015 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.585 ' HB2' ' HA ' ' A' ' 18' ' ' GLU 0.28 3.6 m-20 -55.32 -14.08 1.67 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.729 0.776 . . . . 1.16 110.472 178.239 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -73.49 -48.95 29.4 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.591 0.71 . . . . 1.75 109.587 -179.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.491 HG11 ' N ' ' A' ' 82' ' ' LEU . 5.7 t -120.12 -3.93 9.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.995 -0.682 . . . . 0.83 109.832 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.771 ' N ' ' HD2' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -74.72 -28.47 0.83 Allowed Pre-proline 0 C--N 1.307 -1.283 0 C-N-CA 118.632 -1.227 . . . . 1.27 109.818 177.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.771 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 39.6 Cg_endo -67.91 -45.89 2.81 Favored 'Trans proline' 0 CA--C 1.51 -0.687 0 N-CA-C 105.851 -2.403 . . . . 0.41 105.851 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 2.8 tt0 -66.31 -39.12 89.08 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.208 -1.404 . . . . 1.81 107.208 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.836 ' HG ' HD22 ' A' ' 82' ' ' LEU . 4.9 tt -51.42 -52.1 49.1 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 106.925 -1.509 . . . . 1.34 106.925 177.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 25' ' ' PRO 0.278 0.4 OUTLIER -56.62 -46.94 80.65 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.702 -0.681 . . . . 1.24 109.983 178.205 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.26 7.79 15.31 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.45 -0.782 . . . . 2.37 110.583 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -94.57 -54.44 3.51 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.062 -1.024 . . . . 1.68 109.782 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.529 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 48.9 m -97.84 26.55 5.06 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.612 -1.625 . . . . 1.48 106.612 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 31' ' ' THR . 9.1 p30 40.63 31.75 0.12 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.027 -1.101 . . . . 0.91 108.027 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 2.1 tp10 -104.27 134.6 47.23 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.691 -0.804 . . . . 2.23 110.795 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.431 ' HA ' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -110.36 153.62 24.67 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.287 -0.883 . . . . 1.42 109.684 179.416 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.686 ' HE1' HG12 ' A' ' 87' ' ' VAL . 13.2 m-85 -110.72 -62.52 1.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.0 -1.062 . . . . 1.37 110.925 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 37' ' ' LYS . . . 137.95 34.34 0.19 Allowed Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.859 -1.163 . . . . 1.76 110.465 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 0.5 OUTLIER 63.56 81.67 0.2 Allowed 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.634 -0.921 . . . . 3.43 111.052 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.94 HD23 HG11 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -99.14 165.12 11.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.899 . . . . 1.48 111.187 179.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.695 ' C ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -125.24 149.88 47.56 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.012 -0.736 . . . . 1.66 109.012 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.791 ' HB1' ' HB1' ' A' ' 12' ' ' ALA . . . -79.91 131.99 35.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.846 -1.159 . . . . 0.39 111.814 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.79 HG12 ' HG3' ' A' ' 42' ' ' GLN . 53.5 t -111.57 -25.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 108.535 -0.913 . . . . 0.45 108.535 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.79 ' HG3' HG12 ' A' ' 41' ' ' VAL . 32.9 mt-30 -159.06 175.24 13.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.803 -0.56 . . . . 1.14 109.667 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.881 ' HB2' HD13 ' A' ' 55' ' ' ILE . 18.4 p90 -177.43 -173.32 0.42 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.037 -1.039 . . . . 1.37 111.117 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' ' 45' ' ' THR . 3.3 mtpt -161.21 -151.68 0.24 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.974 0.893 . . . . 1.31 109.519 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 44' ' ' LYS . 14.4 p -158.45 147.43 19.03 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.944 -1.132 . . . . 0.75 107.944 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -107.95 -149.79 0.44 Allowed 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.997 -1.064 . . . . 1.45 109.903 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -164.66 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 0.99 110.359 179.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 49' ' ' ALA . 2.9 t -143.46 -130.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.27 -0.894 . . . . 1.26 109.907 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' H ' HG12 ' A' ' 48' ' ' VAL . . . -84.43 39.64 0.74 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.365 1.079 . . . . 0.94 108.219 178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.96 -120.84 0.96 Allowed Glycine 0 N--CA 1.48 1.604 0 N-CA-C 106.213 -2.755 . . . . 0.72 106.213 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.413 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 7.4 m -157.48 109.14 2.34 Favored 'General case' 0 C--N 1.283 -2.314 0 O-C-N 121.65 -0.912 . . . . 0.7 109.79 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 70' ' ' PHE . 2.4 m-20 -90.56 149.35 22.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.112 -0.993 . . . . 0.86 110.508 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 53' ' ' TYR . 1.7 m-85 -115.58 160.09 20.44 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.063 -1.023 . . . . 1.39 109.975 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.631 ' CE1' ' CD2' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -134.64 110.41 9.28 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 2.98 108.143 178.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.881 HD13 ' HB2' ' A' ' 43' ' ' TYR . 15.1 mm -112.3 126.17 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.732 -1.23 . . . . 1.49 111.861 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' HB2' ' NE2' ' A' ' 66' ' ' HIS . 28.7 tttt -87.98 113.03 23.23 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.513 -0.921 . . . . 1.28 108.513 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.94 HG11 HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -108.01 145.53 15.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 120.815 -1.178 . . . . 0.26 110.565 -178.476 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.6 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 7.7 ttm180 -78.18 177.71 8.16 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.987 -1.071 . . . . 2.99 108.219 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . . . -154.81 62.47 0.66 Allowed 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 118.435 -1.306 . . . . 0.43 111.654 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . 122.92 29.97 1.18 Allowed Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.573 -1.299 . . . . 0.53 110.035 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 62.4 m-20 60.64 16.21 6.4 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-O 121.592 0.71 . . . . 1.73 109.481 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -161.25 -34.12 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.826 -0.75 . . . . 1.23 111.93 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.918 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -87.45 178.67 6.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.782 -1.198 . . . . 2.11 108.766 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' O ' HD12 ' A' ' 65' ' ' LEU . 45.5 m-85 -145.95 179.89 7.16 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 118.566 -1.254 . . . . 1.31 111.988 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.681 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -156.59 -177.04 6.31 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.994 -0.743 . . . . 0.43 108.994 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.846 ' C ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -160.83 110.27 1.68 Allowed 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.301 -1.0 . . . . 1.28 108.301 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.846 HD23 ' C ' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -128.03 168.85 14.73 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 119.596 -1.94 . . . . 0.65 111.488 -177.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 84' ' ' GLY 0.272 0.0 OUTLIER -98.95 166.25 11.37 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 122.602 1.192 . . . . 1.75 114.212 -176.399 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.843 HG11 HG23 ' A' ' 19' ' ' ILE . 57.8 t -160.07 76.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.101 -1.444 . . . . 0.39 107.101 176.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.59 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 9.6 t80 -77.69 138.75 39.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.337 -0.852 . . . . 1.36 111.626 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' SER . 7.3 ttpp -116.68 96.47 5.51 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.29 0.567 . . . . 2.24 109.566 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.519 ' OG ' ' O ' ' A' ' 77' ' ' ASN . 79.3 p -58.28 -128.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.376 -0.827 . . . . 1.47 110.989 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -136.86 164.26 43.66 Favored Pre-proline 0 C--N 1.302 -1.496 0 O-C-N 121.178 -0.951 . . . . 1.19 109.178 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.561 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 41.0 Cg_endo -67.2 -47.94 2.03 Favored 'Trans proline' 0 C--N 1.296 -2.207 0 O-C-N 123.964 1.508 . . . . 1.25 110.753 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.78 -9.73 1.91 Allowed Glycine 0 N--CA 1.493 2.453 0 CA-C-N 115.628 -0.715 . . . . 0.94 112.307 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.21 -83.36 0.31 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.454 -1.615 . . . . 2.38 112.244 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' A' ' 79' ' ' ASP . 17.7 p-10 -125.26 43.53 3.03 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.839 -1.163 . . . . 1.26 111.677 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 73' ' ' LEU . 2.1 pm0 -23.8 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.79 0.805 . . . . 1.78 112.018 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 77' ' ' ASN . 23.1 m-20 -41.98 168.98 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 CA-C-O 121.469 0.652 . . . . 1.29 109.855 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.742 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.4 mm? -92.86 172.36 8.38 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.99 -1.069 . . . . 0.63 111.319 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 80' ' ' LEU . 24.1 t -160.39 139.97 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.612 -0.68 . . . . 0.69 110.155 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.836 HD22 ' HG ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -84.81 122.0 28.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.199 -0.938 . . . . 0.93 110.854 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.555 ' CB ' ' HG2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -93.26 -18.63 22.26 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 0.77 110.486 179.036 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 68' ' ' LYS . . . 165.51 147.28 5.1 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.064 -1.614 . . . . 0.49 109.064 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 67' ' ' LEU . 1.3 p90 -136.75 -162.56 1.3 Allowed 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.27 -1.723 . . . . 1.38 112.744 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 66' ' ' HIS 0.261 0.0 OUTLIER -153.98 158.65 40.94 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.826 -0.546 . . . . 1.83 110.198 -177.363 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.686 HG12 ' HE1' ' A' ' 35' ' ' TYR . 33.4 m -112.86 -126.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.269 -0.894 . . . . 1.43 110.744 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.603 ' N ' HG23 ' A' ' 87' ' ' VAL . 8.7 m-20 -67.42 51.89 0.05 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.43 -0.794 . . . . 1.24 111.342 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.494 ' HG3' ' HG2' ' A' ' 86' ' ' GLN . 12.1 mmtt -64.68 -159.3 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.931 -1.106 . . . . 1.4 108.586 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.482 ' HB2' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -135.32 -168.66 2.23 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.893 -1.129 . . . . 2.08 110.388 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.28 -34.09 21.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.418 -0.801 . . . . 2.49 110.197 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.94 25.5 4.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.396 -0.815 . . . . 2.1 110.637 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' OD1' ' HB2' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -81.9 176.65 9.39 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.178 -0.951 . . . . 1.36 110.393 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.56 161.34 13.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 2.79 109.928 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.631 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 8.0 mt -127.28 -31.01 2.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.944 . . . . 1.16 110.729 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.846 HG23 ' HG ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.18 -174.36 5.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.296 -0.878 . . . . 2.31 110.414 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' THR . . . 45.06 34.78 4.36 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.244 -1.542 . . . . 1.87 109.244 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CD1' ' OH ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.376 -1.073 . . . . 3.27 109.888 -179.806 . . . . . . . . 2 2 . 1 stop_ save_