data_1e5u_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 1e5u _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 ' I' I ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.211 0.529 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' LEU . . . . . 0.514 ' HB2' ' CB ' ' I' ' 74' ' ' SER . 0.1 OUTLIER -93.09 125.33 37.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.885 . . . . 0.0 110.189 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -133.09 117.14 17.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.239 -0.913 . . . . 0.0 109.749 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' ILE . . . . . 0.598 ' CA ' ' O ' ' I' ' 33' ' ' LYS . 0.9 OUTLIER -116.05 141.52 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.452 0.644 . . . . 0.0 111.647 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' I' ' 33' ' ' LYS . 2.5 t70 -88.48 135.28 33.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.438 -0.789 . . . . 0.0 109.432 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -123.62 15.1 9.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.172 -0.955 . . . . 0.0 111.079 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.89 -33.69 14.86 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -112.55 97.64 6.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -1.06 . . . . 0.0 109.014 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' ILE . . . . . 1.001 ' O ' ' HA ' ' I' ' 17' ' ' LYS . 2.8 pp -98.67 140.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 C-N-CA 117.199 -1.8 . . . . 0.0 110.908 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' GLU . . . . . 0.559 ' O ' ' HA ' ' I' ' 30' ' ' VAL . 1.7 tt0 -99.03 112.3 24.47 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.612 -1.235 . . . . 0.0 107.685 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' ILE . . . . . 0.859 ' O ' ' N ' ' I' ' 13' ' ' GLY . 1.8 mm -89.4 140.45 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.415 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 1.152 ' HA ' ' O ' ' I' ' 29' ' ' GLN . 1.9 t -31.11 -16.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.786 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' GLY . . . . . 0.859 ' N ' ' O ' ' I' ' 11' ' ' ILE . . . -50.92 -136.25 0.0 OUTLIER Glycine 0 N--CA 1.48 1.616 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.08 30.62 3.68 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.361 -1.082 . . . . 0.0 110.104 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.52 39.09 7.34 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' VAL . . . . . 0.423 HG21 ' O ' ' I' ' 16' ' ' VAL . 2.0 m -99.89 136.7 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.976 -1.308 . . . . 0.0 109.218 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LYS . . . . . 1.001 ' HA ' ' O ' ' I' ' 9' ' ' ILE . 26.0 pttt -122.74 116.82 24.39 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.761 -1.175 . . . . 0.0 110.848 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.29 -109.91 0.23 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.239 -1.944 . . . . 0.0 108.239 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.87 148.45 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -1.099 . . . . 0.0 109.146 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -81.77 116.03 60.68 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.086 -1.008 . . . . 0.0 109.879 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -87.99 -116.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 O-C-N 123.864 1.455 . . . . 0.0 109.865 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' THR . . . . . 0.647 ' O ' ' HB3' ' I' ' 89' ' ' SER . 1.6 t -148.98 4.91 0.65 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.898 -1.126 . . . . 0.0 111.242 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' VAL . . . . . 0.605 ' CG1' ' CG1' ' I' ' 91' ' ' ILE . 33.3 t -131.97 147.57 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' TRP . . . . . 0.882 ' HB2' ' O ' ' I' ' 89' ' ' SER . 10.9 m0 -100.97 140.9 34.61 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.247 -0.908 . . . . 0.0 108.579 177.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' LEU . . . . . 0.851 ' O ' ' CB ' ' I' ' 26' ' ' GLN . 0.0 OUTLIER -118.49 101.13 7.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.911 -1.118 . . . . 0.0 111.167 -178.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' GLN . . . . . 0.851 ' CB ' ' O ' ' I' ' 25' ' ' LEU . 3.3 mm-40 123.04 -156.7 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.818 0 O-C-N 121.516 -0.74 . . . . 0.0 111.703 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' TYR . . . . . 0.531 ' HB3' ' HG2' ' I' ' 63' ' ' LYS . 11.0 m-85 -55.72 -54.69 41.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.659 -0.65 . . . . 0.0 111.975 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' GLY . . . . . 0.839 ' HA3' ' CG1' ' I' ' 12' ' ' VAL . . . 144.61 67.71 0.02 OUTLIER Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLN . . . . . 1.152 ' O ' ' HA ' ' I' ' 12' ' ' VAL . 33.6 tt0 -136.37 135.91 39.19 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.464 -1.609 . . . . 0.0 112.56 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' VAL . . . . . 0.585 HG13 ' CG2' ' I' ' 12' ' ' VAL . 0.9 OUTLIER -134.15 153.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.074 -1.641 . . . . 0.0 108.977 178.369 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ASN . . . . . 0.532 ' HB3' ' CB ' ' I' ' 10' ' ' GLU . 38.8 t-20 -135.36 125.75 26.6 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.639 -1.224 . . . . 0.0 111.565 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' I' ' 58' ' ' GLY . 5.0 tp -110.57 154.57 23.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.549 -0.72 . . . . 0.0 109.314 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' I' ' 5' ' ' ASP . 1.2 mptp? -96.16 107.32 19.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.676 -1.265 . . . . 0.0 111.247 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' ALA . . . . . 0.706 ' O ' ' CH2' ' I' ' 43' ' ' TRP . . . -137.18 133.36 35.11 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' SER . . . . . 0.561 ' O ' ' O ' ' I' ' 36' ' ' GLY . 0.1 OUTLIER -119.83 145.97 46.15 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.62 179.325 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' I' ' 35' ' ' SER . . . -51.21 -126.82 0.0 OUTLIER Glycine 0 N--CA 1.491 2.366 0 CA-C-O 121.797 0.665 . . . . 0.0 111.62 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . 0.654 ' H ' ' CB ' ' I' ' 75' ' ' SER . . . -156.42 -108.58 0.28 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' ASN . . . . . 0.647 ' N ' ' HB2' ' I' ' 75' ' ' SER . 0.9 OUTLIER -103.57 -38.52 7.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.669 -1.489 . . . . 0.0 112.357 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' GLY . . . . . 0.546 ' N ' ' HB3' ' I' ' 75' ' ' SER . . . -135.31 -100.99 0.65 Allowed Glycine 0 N--CA 1.497 2.75 0 C-N-CA 118.824 -1.655 . . . . 0.0 112.874 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' LYS . . . . . 0.74 ' C ' ' HA ' ' I' ' 75' ' ' SER . 1.8 ttpt -74.67 115.38 14.17 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.291 -1.123 . . . . 0.0 112.728 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . 0.612 ' HB3' ' CA ' ' I' ' 75' ' ' SER . 31.9 p90 -123.68 144.93 49.34 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 42' ' ' THR . . . . . 0.639 ' C ' ' HD1' ' I' ' 43' ' ' TRP . 0.2 OUTLIER -120.32 130.97 54.67 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.992 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 43' ' ' TRP . . . . . 0.706 ' CH2' ' O ' ' I' ' 34' ' ' ALA . 12.2 m0 -119.83 141.27 49.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.958 -1.089 . . . . 0.0 110.461 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 44' ' ' ARG . . . . . 0.71 ' O ' ' HA ' ' I' ' 70' ' ' ILE . 0.0 OUTLIER -146.21 128.51 15.8 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 177.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 45' ' ' SER . . . . . 0.876 ' HA ' HG12 ' I' ' 70' ' ' ILE . 0.7 OUTLIER -134.96 122.1 21.42 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.777 -178.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 46' ' ' ALA . . . . . 0.788 ' N ' ' O ' ' I' ' 69' ' ' THR . . . 57.41 -8.06 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.093 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 47' ' ' ASN . . . . . 0.688 ' H ' ' C ' ' I' ' 45' ' ' SER . 0.0 OUTLIER 80.56 138.18 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.577 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 48' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.05 -32.68 52.99 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 O-C-N 123.75 1.395 . . . . 0.0 110.658 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 49' ' ' ALA . . . . . 0.593 ' N ' ' OD1' ' I' ' 47' ' ' ASN . . . -56.18 -20.15 16.63 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 110.201 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 50' ' ' ILE . . . . . 0.668 ' CG1' ' HB2' ' I' ' 65' ' ' LYS . 0.2 OUTLIER -126.18 -37.02 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.001 -1.062 . . . . 0.0 112.977 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 51' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' I' ' 61' ' ' THR . . . -128.58 159.22 36.22 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 118.274 -1.37 . . . . 0.0 112.718 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 52' ' ' SER . . . . . . . . . . . . . 9.5 m -98.96 125.29 44.37 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 53' ' ' VAL . . . . . 0.759 ' HA ' ' O ' ' I' ' 59' ' ' GLN . 0.6 OUTLIER -114.82 149.14 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 118.186 -1.406 . . . . 0.0 112.837 -177.165 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 54' ' ' ASP . . . . . 0.54 ' HB3' ' CB ' ' I' ' 59' ' ' GLN . 66.0 t0 -92.73 118.19 30.8 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 55' ' ' ALA . . . . . 0.633 ' O ' ' CZ3' ' I' ' 43' ' ' TRP . . . -75.2 -21.57 58.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.727 -0.608 . . . . 0.0 112.25 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.07 15.67 21.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.54 -1.35 . . . . 0.0 109.212 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 57' ' ' SER . . . . . 0.579 ' O ' ' N ' ' I' ' 59' ' ' GLN . 47.7 t -175.62 113.87 0.13 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 58' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' I' ' 31' ' ' ASN . . . -48.34 87.49 0.01 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 59' ' ' GLN . . . . . 0.759 ' O ' ' HA ' ' I' ' 53' ' ' VAL . 32.0 tt0 -117.82 111.3 18.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.949 -1.324 . . . . 0.0 109.857 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 60' ' ' VAL . . . . . 0.657 ' CG2' ' HB3' ' I' ' 45' ' ' SER . 0.4 OUTLIER -111.58 132.15 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.594 -1.316 . . . . 0.0 110.604 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 61' ' ' THR . . . . . 0.625 ' O ' ' CB ' ' I' ' 51' ' ' ALA . 14.0 p -124.11 106.04 10.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 0.0 110.659 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 62' ' ' LEU . . . . . 0.607 HD22 ' CH2' ' I' ' 24' ' ' TRP . 0.8 OUTLIER -114.13 156.45 24.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.811 -1.181 . . . . 0.0 108.347 177.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 63' ' ' LYS . . . . . 0.636 ' O ' ' HB3' ' I' ' 64' ' ' GLU . 0.0 OUTLIER -155.87 4.65 0.19 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.697 -1.252 . . . . 0.0 111.693 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 64' ' ' GLU . . . . . 0.636 ' HB3' ' O ' ' I' ' 63' ' ' LYS . 6.0 pt-20 167.08 109.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.594 -1.316 . . . . 0.0 111.71 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 65' ' ' LYS . . . . . 0.668 ' HB2' ' CG1' ' I' ' 50' ' ' ILE . 0.0 OUTLIER 173.88 -53.14 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.342 -0.849 . . . . 0.0 110.629 178.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.74 -95.64 0.15 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.79 168.19 9.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.257 -1.143 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 68' ' ' THR . . . . . 0.623 ' OG1' ' HB ' ' I' ' 84' ' ' ILE . 0.0 OUTLIER -121.07 132.51 54.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.904 -1.122 . . . . 0.0 110.316 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 69' ' ' THR . . . . . 0.788 ' O ' ' N ' ' I' ' 46' ' ' ALA . 0.6 OUTLIER -102.4 123.38 46.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.24 -0.912 . . . . 0.0 110.604 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 70' ' ' ILE . . . . . 0.876 HG12 ' HA ' ' I' ' 45' ' ' SER . 0.4 OUTLIER -132.09 122.25 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.969 . . . . 0.0 109.287 178.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -133.96 162.51 31.85 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 72' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' I' ' 80' ' ' ALA . 68.9 t -146.63 124.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.016 -1.053 . . . . 0.0 110.633 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 73' ' ' ILE . . . . . 0.521 HD11 HG23 ' I' ' 73' ' ' ILE . 3.2 mt -110.59 138.64 37.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.466 -0.771 . . . . 0.0 109.048 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 74' ' ' SER . . . . . 0.568 ' HB3' ' CB ' ' I' ' 78' ' ' GLN . 1.3 p -73.44 147.97 43.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 75' ' ' SER . . . . . 0.74 ' HA ' ' C ' ' I' ' 40' ' ' LYS . 57.4 m -54.19 -18.85 4.24 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.581 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 76' ' ' ASP . . . . . 0.658 ' O ' ' CB ' ' I' ' 77' ' ' ASN . 12.5 t70 -87.79 3.47 48.04 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 77' ' ' ASN . . . . . 0.658 ' CB ' ' O ' ' I' ' 76' ' ' ASP . 0.6 OUTLIER 91.09 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 78' ' ' GLN . . . . . 0.568 ' CB ' ' HB3' ' I' ' 74' ' ' SER . 0.0 OUTLIER -84.2 169.47 14.76 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 175.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.22 132.58 47.27 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.237 -1.539 . . . . 0.0 112.705 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 80' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' I' ' 72' ' ' VAL . . . -132.62 148.5 52.36 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 133.14 25.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.986 -1.071 . . . . 0.0 112.05 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 82' ' ' TYR . . . . . 0.728 ' CB ' HG21 ' I' ' 70' ' ' ILE . 0.3 OUTLIER -146.49 117.79 7.89 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 83' ' ' THR . . . . . . . . . . . . . 3.0 t -123.94 135.83 53.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.139 -0.975 . . . . 0.0 111.206 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 84' ' ' ILE . . . . . 0.623 ' HB ' ' OG1' ' I' ' 68' ' ' THR . 1.0 OUTLIER -76.88 123.06 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.03 -59.76 0.64 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.056 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 86' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' I' ' 87' ' ' PRO . 0.1 OUTLIER -89.74 -57.08 0.27 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.528 -0.732 . . . . 0.0 111.701 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 87' ' ' PRO . . . . . 0.57 ' O ' ' CB ' ' I' ' 88' ' ' ASN . 41.0 Cg_endo -67.95 -157.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 123.528 1.278 . . . . 0.0 110.177 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 88' ' ' ASN . . . . . 0.575 ' ND2' HG12 ' I' ' 84' ' ' ILE . 3.7 m120 74.52 70.17 0.1 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -0.939 . . . . 0.0 109.904 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 89' ' ' SER . . . . . 0.882 ' O ' ' HB2' ' I' ' 24' ' ' TRP . 14.7 t -89.28 151.5 22.08 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 90' ' ' LEU . . . . . 0.656 ' CD2' ' CE3' ' I' ' 24' ' ' TRP . 0.8 OUTLIER -137.66 130.89 30.67 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.812 -178.549 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 91' ' ' ILE . . . . . 0.605 ' CG1' ' CG1' ' I' ' 23' ' ' VAL . 4.1 mm -105.32 133.93 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 92' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' I' ' 185' ' ' CYS . 10.2 t -133.94 119.75 14.9 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 93' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -86.69 132.14 3.44 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.78 1.411 . . . . 0.0 108.604 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 94' ' ' ASN . . . . . 0.64 ' O ' ' HB3' ' I' ' 95' ' ' MET . 2.2 m120 -117.27 102.24 9.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.159 -1.588 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 95' ' ' MET . . . . . 0.856 ' HB3' ' HB2' ' I' ' 182' ' ' TYR . 0.0 OUTLIER 174.84 74.19 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.704 178.773 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 43.6 m -65.74 -26.02 67.55 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 117.464 -1.694 . . . . 0.0 106.487 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 97' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' I' ' 98' ' ' ARG . 0.0 OUTLIER -125.49 160.73 28.77 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 98' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' I' ' 97' ' ' LYS . 7.2 mtp180 -45.21 144.49 1.34 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.212 -1.555 . . . . 0.0 109.263 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 99' ' ' VAL . . . . . 0.71 ' O ' ' HA ' ' I' ' 179' ' ' SER . 0.0 OUTLIER -141.55 164.81 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 120.54 -1.35 . . . . 0.0 113.449 -178.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 100' ' ' THR . . . . . 0.608 ' HA ' ' CZ2' ' I' ' 147' ' ' TRP . 0.0 OUTLIER -100.27 166.11 11.14 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.646 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 101' ' ' TYR . . . . . 0.621 ' HB2' ' CE3' ' I' ' 147' ' ' TRP . 2.1 t80 -59.65 -50.42 73.94 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.653 0.74 . . . . 0.0 111.646 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 102' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -70.16 -44.29 69.1 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 103' ' ' ASP . . . . . 0.572 ' CB ' HG21 ' I' ' 100' ' ' THR . 21.4 t0 -63.95 -46.64 83.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.669 -1.269 . . . . 0.0 109.754 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 104' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' I' ' 183' ' ' ALA . . . -70.2 -38.44 75.31 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 105' ' ' VAL . . . . . 0.575 HG22 ' CD1' ' I' ' 101' ' ' TYR . 4.0 t -59.15 -44.14 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 106' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' I' ' 110' ' ' ASN . 26.0 t30 -54.96 -45.33 74.9 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 122.413 1.102 . . . . 0.0 109.302 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 9.3 m -74.02 -49.13 25.65 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.87 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 108' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' I' ' 111' ' ' PHE . 14.3 t -62.12 -55.12 32.05 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.024 -1.048 . . . . 0.0 111.149 -178.42 -166.512 39.028 -148.728 104.372 2.022 104.233 -39.675 -44.873 2 2 . 1 . 001 nuclear orig full ' I' I ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -25.96 66.66 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.724 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 110' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' I' ' 106' ' ' ASN . 1.6 t-20 -58.2 -18.6 27.17 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 111' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' I' ' 108' ' ' CYS . 1.2 t80 -78.09 -6.12 53.66 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.782 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.52 11.75 76.94 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.62 -175.31 19.99 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 114' ' ' LYS . . . . . 0.51 ' O ' HG22 ' I' ' 186' ' ' VAL . 5.0 mtpp -130.98 170.24 14.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.76 -1.436 . . . . 0.0 110.612 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mp -85.31 159.32 56.54 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.137 -0.977 . . . . 0.0 110.622 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 116' ' ' PRO . . . . . 0.644 ' CG ' ' CD1' ' I' ' 122' ' ' LEU . 41.4 Cg_endo -67.93 152.66 76.79 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 124.211 1.637 . . . . 0.0 110.976 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 117' ' ' SER . . . . . 0.417 ' C ' ' OG ' ' I' ' 118' ' ' SER . 0.4 OUTLIER -68.96 -29.14 67.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.468 -0.77 . . . . 0.0 111.979 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 118' ' ' SER . . . . . 0.417 ' OG ' ' C ' ' I' ' 117' ' ' SER . 0.9 OUTLIER -160.79 177.24 10.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.639 -1.288 . . . . 0.0 111.943 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 119' ' ' GLN . . . . . 0.692 ' HB2' ' CD2' ' I' ' 163' ' ' TYR . 4.4 pt20 -53.35 -46.51 69.57 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.747 -0.596 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 120' ' ' ASN . . . . . 0.538 ' N ' ' CG ' ' I' ' 119' ' ' GLN . 1.0 OUTLIER -57.92 -35.44 71.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.112 -0.993 . . . . 0.0 111.327 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 121' ' ' GLU . . . . . 0.546 ' O ' ' CG2' ' I' ' 125' ' ' VAL . 1.6 mm-40 -53.15 -46.8 69.0 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.381 -1.449 . . . . 0.0 109.783 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 122' ' ' LEU . . . . . 0.644 ' CD1' ' CG ' ' I' ' 116' ' ' PRO . 5.3 mp -71.91 -51.57 21.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.493 -0.754 . . . . 0.0 110.848 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 123' ' ' GLU . . . . . 0.612 ' HB2' ' CZ ' ' I' ' 163' ' ' TYR . 0.0 OUTLIER -58.55 -45.33 89.15 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.826 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 124' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -69.38 -36.97 77.31 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.196 -0.94 . . . . 0.0 108.948 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 125' ' ' VAL . . . . . 0.649 ' O ' ' CE2' ' I' ' 129' ' ' TRP . 2.6 t -66.67 -47.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.251 -0.906 . . . . 0.0 109.21 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 126' ' ' PHE . . . . . 0.536 ' HA ' ' CD1' ' I' ' 129' ' ' TRP . 0.2 OUTLIER -68.13 -46.44 70.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.617 -0.677 . . . . 0.0 110.249 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 127' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.8 -31.98 63.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.665 -1.272 . . . . 0.0 108.842 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 128' ' ' ALA . . . . . 0.513 ' C ' ' CE3' ' I' ' 129' ' ' TRP . . . -70.84 -25.15 62.7 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 108.78 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 129' ' ' TRP . . . . . 0.649 ' CE2' ' O ' ' I' ' 125' ' ' VAL . 0.4 OUTLIER -81.31 -27.08 35.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 109.666 179.179 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 130' ' ' GLY . . . . . 0.565 ' O ' ' CD ' ' I' ' 134' ' ' LYS . . . 89.82 10.04 65.39 Favored Glycine 0 N--CA 1.492 2.423 0 C-N-CA 119.997 -1.097 . . . . 0.0 110.82 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 131' ' ' ALA . . . . . . . . . . . . . . . -96.88 -42.74 7.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.688 -1.478 . . . . 0.0 109.217 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 132' ' ' ALA . . . . . 0.566 ' HA ' ' CD1' ' I' ' 165' ' ' LEU . . . -52.0 -19.5 1.88 Allowed 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 133' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.05 59.36 0.98 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 111.074 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 134' ' ' LYS . . . . . 0.676 ' HB3' ' CB ' ' I' ' 137' ' ' TYR . 0.0 OUTLIER -104.9 5.33 32.82 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.123 -1.031 . . . . 0.0 109.569 178.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 135' ' ' TYR . . . . . 0.626 ' HA ' ' CE2' ' I' ' 138' ' ' TYR . 27.7 t80 65.9 -84.21 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.505 -0.747 . . . . 0.0 110.304 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 136' ' ' GLU . . . . . 0.42 ' H ' ' HB3' ' I' ' 135' ' ' TYR . 37.0 tt0 -59.53 -36.52 76.29 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 137' ' ' TYR . . . . . 0.676 ' CB ' ' HB3' ' I' ' 134' ' ' LYS . 8.5 t80 -53.72 -21.93 8.15 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 138' ' ' TYR . . . . . 0.728 ' CE1' ' CG2' ' I' ' 166' ' ' VAL . 5.1 m-30 -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.133 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.21 -21.3 0.76 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.535 -0.728 . . . . 0.0 110.133 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 140' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' I' ' 141' ' ' SER . 31.9 m -82.16 -19.07 40.7 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 141' ' ' SER . . . . . 0.601 ' O ' ' C ' ' I' ' 142' ' ' GLN . 4.3 m -175.43 74.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.067 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 142' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' I' ' 141' ' ' SER . 2.7 tt0 -26.62 -42.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.482 0.658 . . . . 0.0 110.148 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 143' ' ' THR . . . . . 0.582 ' N ' ' O ' ' I' ' 141' ' ' SER . 5.2 m -127.72 121.23 29.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.395 -0.815 . . . . 0.0 109.629 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 144' ' ' ILE . . . . . 0.581 HD13 ' CD1' ' I' ' 165' ' ' LEU . 0.2 OUTLIER -116.32 107.21 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 108.664 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 145' ' ' ILE . . . . . 0.869 ' HA ' ' O ' ' I' ' 163' ' ' TYR . 0.1 OUTLIER -107.95 130.85 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.068 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 146' ' ' SER . . . . . 0.635 ' HA ' ' CE2' ' I' ' 182' ' ' TYR . 3.3 t -109.46 156.22 20.35 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.906 . . . . 0.0 111.475 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 147' ' ' TRP . . . . . 0.72 ' HD1' ' CB ' ' I' ' 181' ' ' ALA . 1.5 m95 -73.82 134.41 43.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.698 -1.252 . . . . 0.0 109.003 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 148' ' ' VAL . . . . . 0.569 ' CG2' ' HB2' ' I' ' 163' ' ' TYR . 75.4 t -126.97 165.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-O 122.095 0.95 . . . . 0.0 111.413 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 149' ' ' GLN . . . . . 0.55 ' N ' HG13 ' I' ' 148' ' ' VAL . 7.3 tt0 -62.72 146.43 52.35 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 150' ' ' GLN . . . . . 0.687 ' HB3' ' HA ' ' I' ' 160' ' ' ALA . 2.1 pt20 -87.41 176.15 7.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.305 -1.497 . . . . 0.0 110.443 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 151' ' ' THR . . . . . 0.591 ' O ' ' HB3' ' I' ' 155' ' ' ALA . 0.2 OUTLIER -104.8 172.3 6.86 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.76 95.95 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.169 -1.582 . . . . 0.0 108.532 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 153' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' I' ' 156' ' ' LYS . 2.7 pt20 -69.6 -49.63 52.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.693 -0.629 . . . . 0.0 112.56 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 154' ' ' ASP . . . . . 0.695 ' O ' ' HB2' ' I' ' 157' ' ' SER . 13.4 m-20 -69.08 -35.37 76.43 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.825 -1.172 . . . . 0.0 110.404 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 155' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' I' ' 151' ' ' THR . . . -52.23 -46.51 65.72 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.406 -1.434 . . . . 0.0 108.172 177.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 156' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' I' ' 157' ' ' SER . 0.0 OUTLIER -63.35 -23.35 67.37 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.676 0.751 . . . . 0.0 109.224 179.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 157' ' ' SER . . . . . 0.695 ' HB2' ' O ' ' I' ' 154' ' ' ASP 0.255 0.6 OUTLIER -71.01 -7.41 46.13 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 175.555 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' I' I ' 158' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' I' ' 175' ' ' LYS . . . 75.16 39.69 36.37 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 106.979 -2.448 . . . . 0.0 106.979 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 159' ' ' VAL . . . . . 0.731 ' HA ' ' HB3' ' I' ' 175' ' ' LYS . 3.0 m -142.45 169.21 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.805 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . 0.687 ' HA ' ' HB3' ' I' ' 150' ' ' GLN . . . -124.36 166.36 16.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 161' ' ' SER . . . . . 0.555 ' O ' ' HB ' ' I' ' 148' ' ' VAL . 33.3 t -73.89 144.04 45.54 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.072 -1.643 . . . . 0.0 110.395 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 162' ' ' THR . . . . . 0.721 ' O ' ' N ' ' I' ' 171' ' ' LEU . 0.0 OUTLIER -119.3 139.46 51.9 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 163' ' ' TYR . . . . . 0.869 ' O ' ' HA ' ' I' ' 145' ' ' ILE . 0.2 OUTLIER -111.97 130.15 55.95 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.812 -1.18 . . . . 0.0 109.96 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 164' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' I' ' 169' ' ' ASN . 0.5 OUTLIER -122.53 109.61 14.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 177.074 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 165' ' ' LEU . . . . . 0.659 ' CD1' HG22 ' I' ' 166' ' ' VAL . 0.5 OUTLIER -78.59 -60.26 2.45 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.215 -0.928 . . . . 0.0 112.616 -176.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 166' ' ' VAL . . . . . 0.728 ' CG2' ' CE1' ' I' ' 138' ' ' TYR . 7.1 t -84.23 -16.53 10.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 112.541 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 167' ' ' LYS . . . . . 0.592 ' O ' ' HB2' ' I' ' 168' ' ' GLN . 1.0 OUTLIER -93.85 -18.61 21.82 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.574 -1.65 . . . . 0.0 112.93 -176.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 168' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' I' ' 169' ' ' ASN . 19.5 tt0 169.13 4.75 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 118.093 -1.443 . . . . 0.0 113.44 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 169' ' ' ASN . . . . . 0.835 ' HB2' ' O ' ' I' ' 168' ' ' GLN . 0.6 OUTLIER 96.54 -166.83 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.527 0 O-C-N 121.0 -1.063 . . . . 0.0 108.64 -177.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 170' ' ' PRO . . . . . 0.751 ' HA ' ' HA ' ' I' ' 163' ' ' TYR . 51.9 Cg_endo -81.76 158.73 18.82 Favored 'Trans proline' 0 C--N 1.315 -1.197 0 O-C-N 122.615 0.798 . . . . 0.0 111.954 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 171' ' ' LEU . . . . . 0.721 ' N ' ' O ' ' I' ' 162' ' ' THR . 12.1 tp -135.4 161.04 36.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 172' ' ' ASN . . . . . 0.594 ' O ' ' CB ' ' I' ' 173' ' ' ASN . 3.6 p-10 -118.17 145.39 44.97 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.945 0.879 . . . . 0.0 111.67 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 173' ' ' ASN . . . . . 0.722 ' HA ' ' HB ' ' I' ' 159' ' ' VAL . 0.7 OUTLIER 88.51 85.83 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.034 0.921 . . . . 0.0 110.006 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 174' ' ' ILE . . . . . 0.739 ' CG2' ' CB ' ' I' ' 180' ' ' ASN . 22.1 mm -159.32 114.65 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 175' ' ' LYS . . . . . 0.731 ' HB3' ' HA ' ' I' ' 159' ' ' VAL . 0.0 OUTLIER 169.57 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -176.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 176' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' I' ' 175' ' ' LYS . . . -54.05 -24.76 18.35 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 177' ' ' SER . . . . . 0.791 ' O ' ' CB ' ' I' ' 178' ' ' GLU . 1.6 t -77.31 -56.95 4.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.316 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 178' ' ' GLU . . . . . 0.791 ' CB ' ' O ' ' I' ' 177' ' ' SER . 1.1 tp10 106.24 36.02 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.483 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 179' ' ' SER . . . . . 0.71 ' HA ' ' O ' ' I' ' 99' ' ' VAL . 2.6 p 150.27 62.67 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.497 -0.752 . . . . 0.0 109.394 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 180' ' ' ASN . . . . . 0.739 ' CB ' ' CG2' ' I' ' 174' ' ' ILE . 2.3 m-20 -99.49 3.08 45.47 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -175.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 181' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' I' ' 182' ' ' TYR . . . -152.63 -86.55 0.06 Allowed 'General case' 0 C--N 1.291 -1.943 0 C-N-CA 117.676 -1.61 . . . . 0.0 110.309 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 182' ' ' TYR . . . . . 0.856 ' HB2' ' HB3' ' I' ' 95' ' ' MET . 30.7 p90 160.04 176.91 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 121.907 0.861 . . . . 0.0 112.374 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 183' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' I' ' 104' ' ' ALA . . . -104.48 150.53 24.49 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 184' ' ' THR . . . . . 0.489 ' OG1' HD22 ' I' ' 122' ' ' LEU . 0.2 OUTLIER -120.19 136.61 54.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 108.766 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 185' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' I' ' 91' ' ' ILE . 10.0 m -112.38 121.7 45.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.832 -1.168 . . . . 0.0 109.832 -179.922 -44.873 -39.675 -148.728 104.233 2.022 104.372 39.028 -166.512 2 2 . 1 . 001 nuclear orig full ' I' I ' 186' ' ' VAL . . . . . 0.51 HG22 ' O ' ' I' ' 114' ' ' LYS . 0.0 OUTLIER -115.48 132.47 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.782 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 187' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' I' ' 186' ' ' VAL . 8.4 ttpt . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.017 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.211 0.529 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 2' ' ' LEU . . . . . 0.769 ' O ' HD23 ' I' ' 2' ' ' LEU . 0.1 OUTLIER -93.09 125.33 37.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.885 . . . . 0.0 110.189 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -133.09 117.14 17.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.239 -0.913 . . . . 0.0 109.749 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 4' ' ' ILE . . . . . 0.598 ' CA ' ' O ' ' I' ' 33' ' ' LYS . 0.9 OUTLIER -116.05 141.52 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.452 0.644 . . . . 0.0 111.647 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 5' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' I' ' 33' ' ' LYS . 2.5 t70 -88.48 135.28 33.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.438 -0.789 . . . . 0.0 109.432 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -123.62 15.1 9.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.172 -0.955 . . . . 0.0 111.079 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.89 -33.69 14.86 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -112.55 97.64 6.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -1.06 . . . . 0.0 109.014 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 9' ' ' ILE . . . . . 1.012 ' O ' ' HA ' ' I' ' 17' ' ' LYS . 2.8 pp -98.67 140.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 C-N-CA 117.199 -1.8 . . . . 0.0 110.908 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 10' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' I' ' 30' ' ' VAL . 1.7 tt0 -99.03 112.3 24.47 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.612 -1.235 . . . . 0.0 107.685 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 11' ' ' ILE . . . . . 0.96 HG22 ' H ' ' I' ' 13' ' ' GLY . 1.8 mm -89.4 140.45 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.415 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 1.164 HG21 ' CE3' ' I' ' 24' ' ' TRP . 1.9 t -31.11 -16.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.786 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 13' ' ' GLY . . . . . 0.96 ' H ' HG22 ' I' ' 11' ' ' ILE . . . -50.92 -136.25 0.0 OUTLIER Glycine 0 N--CA 1.48 1.616 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.08 30.62 3.68 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.361 -1.082 . . . . 0.0 110.104 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.52 39.09 7.34 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.89 136.7 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.976 -1.308 . . . . 0.0 109.218 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LYS . . . . . 1.012 ' HA ' ' O ' ' I' ' 9' ' ' ILE . 26.0 pttt -122.74 116.82 24.39 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.761 -1.175 . . . . 0.0 110.848 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.29 -109.91 0.23 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.239 -1.944 . . . . 0.0 108.239 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.87 148.45 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -1.099 . . . . 0.0 109.146 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 20' ' ' LEU . . . . . 0.922 HD12 HD11 ' I' ' 11' ' ' ILE . 5.7 tp -81.77 116.03 60.68 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.086 -1.008 . . . . 0.0 109.879 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 21' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -87.99 -116.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 O-C-N 123.864 1.455 . . . . 0.0 109.865 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' THR . . . . . 0.819 HG23 HG23 ' I' ' 23' ' ' VAL . 1.6 t -148.98 4.91 0.65 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.898 -1.126 . . . . 0.0 111.242 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 23' ' ' VAL . . . . . 1.002 HG13 HD11 ' I' ' 91' ' ' ILE . 33.3 t -131.97 147.57 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 24' ' ' TRP . . . . . 1.173 ' C ' HD13 ' I' ' 25' ' ' LEU . 10.9 m0 -100.97 140.9 34.61 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.247 -0.908 . . . . 0.0 108.579 177.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 25' ' ' LEU . . . . . 1.173 HD13 ' C ' ' I' ' 24' ' ' TRP . 0.0 OUTLIER -118.49 101.13 7.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.911 -1.118 . . . . 0.0 111.167 -178.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 26' ' ' GLN . . . . . 0.851 ' CB ' ' O ' ' I' ' 25' ' ' LEU . 3.3 mm-40 123.04 -156.7 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.818 0 O-C-N 121.516 -0.74 . . . . 0.0 111.703 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 27' ' ' TYR . . . . . 0.55 ' HB3' ' HG2' ' I' ' 63' ' ' LYS . 11.0 m-85 -55.72 -54.69 41.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.659 -0.65 . . . . 0.0 111.975 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 28' ' ' GLY . . . . . 0.997 ' C ' HG22 ' I' ' 12' ' ' VAL . . . 144.61 67.71 0.02 OUTLIER Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLN . . . . . 1.139 ' O ' ' HA ' ' I' ' 12' ' ' VAL . 33.6 tt0 -136.37 135.91 39.19 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.464 -1.609 . . . . 0.0 112.56 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 30' ' ' VAL . . . . . 1.101 HG12 HG23 ' I' ' 12' ' ' VAL . 0.9 OUTLIER -134.15 153.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.074 -1.641 . . . . 0.0 108.977 178.369 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' I' ' 58' ' ' GLY . 38.8 t-20 -135.36 125.75 26.6 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.639 -1.224 . . . . 0.0 111.565 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 32' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' I' ' 58' ' ' GLY . 5.0 tp -110.57 154.57 23.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.549 -0.72 . . . . 0.0 109.314 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 33' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' I' ' 5' ' ' ASP . 1.2 mptp? -96.16 107.32 19.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.676 -1.265 . . . . 0.0 111.247 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 34' ' ' ALA . . . . . 0.706 ' O ' ' CH2' ' I' ' 43' ' ' TRP . . . -137.18 133.36 35.11 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 35' ' ' SER . . . . . 0.561 ' O ' ' O ' ' I' ' 36' ' ' GLY . 0.1 OUTLIER -119.83 145.97 46.15 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.62 179.325 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 36' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' I' ' 35' ' ' SER . . . -51.21 -126.82 0.0 OUTLIER Glycine 0 N--CA 1.491 2.366 0 CA-C-O 121.797 0.665 . . . . 0.0 111.62 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . 0.711 ' H ' ' CB ' ' I' ' 75' ' ' SER . . . -156.42 -108.58 0.28 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 38' ' ' ASN . . . . . 0.676 ' N ' ' HB2' ' I' ' 75' ' ' SER . 0.9 OUTLIER -103.57 -38.52 7.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.669 -1.489 . . . . 0.0 112.357 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 39' ' ' GLY . . . . . 0.559 ' N ' ' HB3' ' I' ' 75' ' ' SER . . . -135.31 -100.99 0.65 Allowed Glycine 0 N--CA 1.497 2.75 0 C-N-CA 118.824 -1.655 . . . . 0.0 112.874 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 40' ' ' LYS . . . . . 0.813 ' C ' ' HA ' ' I' ' 75' ' ' SER . 1.8 ttpt -74.67 115.38 14.17 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.291 -1.123 . . . . 0.0 112.728 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 41' ' ' TYR . . . . . 0.648 ' HD2' ' HG ' ' I' ' 75' ' ' SER . 31.9 p90 -123.68 144.93 49.34 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 42' ' ' THR . . . . . 0.645 ' C ' ' HD1' ' I' ' 43' ' ' TRP . 0.2 OUTLIER -120.32 130.97 54.67 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.992 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 43' ' ' TRP . . . . . 0.706 ' CH2' ' O ' ' I' ' 34' ' ' ALA . 12.2 m0 -119.83 141.27 49.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.958 -1.089 . . . . 0.0 110.461 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 44' ' ' ARG . . . . . 1.207 ' O ' HD13 ' I' ' 70' ' ' ILE . 0.0 OUTLIER -146.21 128.51 15.8 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 177.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 45' ' ' SER . . . . . 1.076 ' CB ' HG13 ' I' ' 60' ' ' VAL . 0.7 OUTLIER -134.96 122.1 21.42 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.777 -178.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 46' ' ' ALA . . . . . 0.892 ' CB ' HG22 ' I' ' 68' ' ' THR . . . 57.41 -8.06 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.093 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 47' ' ' ASN . . . . . 0.648 ' H ' ' C ' ' I' ' 45' ' ' SER . 0.0 OUTLIER 80.56 138.18 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.577 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 48' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.05 -32.68 52.99 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 O-C-N 123.75 1.395 . . . . 0.0 110.658 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 49' ' ' ALA . . . . . 0.599 ' HB3' ' OD1' ' I' ' 47' ' ' ASN . . . -56.18 -20.15 16.63 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 110.201 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 50' ' ' ILE . . . . . 0.907 HD13 ' O ' ' I' ' 50' ' ' ILE . 0.2 OUTLIER -126.18 -37.02 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.001 -1.062 . . . . 0.0 112.977 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 51' ' ' ALA . . . . . 0.799 ' HB3' ' HB3' ' I' ' 46' ' ' ALA . . . -128.58 159.22 36.22 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 118.274 -1.37 . . . . 0.0 112.718 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 52' ' ' SER . . . . . . . . . . . . . 9.5 m -98.96 125.29 44.37 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 53' ' ' VAL . . . . . 0.778 ' HA ' ' O ' ' I' ' 59' ' ' GLN . 0.6 OUTLIER -114.82 149.14 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 118.186 -1.406 . . . . 0.0 112.837 -177.165 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 54' ' ' ASP . . . . . 0.566 ' HB3' ' CB ' ' I' ' 59' ' ' GLN . 66.0 t0 -92.73 118.19 30.8 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 55' ' ' ALA . . . . . 0.633 ' O ' ' CZ3' ' I' ' 43' ' ' TRP . . . -75.2 -21.57 58.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.727 -0.608 . . . . 0.0 112.25 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.07 15.67 21.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.54 -1.35 . . . . 0.0 109.212 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 57' ' ' SER . . . . . 0.579 ' O ' ' N ' ' I' ' 59' ' ' GLN . 47.7 t -175.62 113.87 0.13 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 58' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' I' ' 31' ' ' ASN . . . -48.34 87.49 0.01 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 59' ' ' GLN . . . . . 0.778 ' O ' ' HA ' ' I' ' 53' ' ' VAL . 32.0 tt0 -117.82 111.3 18.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.949 -1.324 . . . . 0.0 109.857 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 60' ' ' VAL . . . . . 1.076 HG13 ' CB ' ' I' ' 45' ' ' SER . 0.4 OUTLIER -111.58 132.15 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.594 -1.316 . . . . 0.0 110.604 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 61' ' ' THR . . . . . 0.847 HG22 ' HG3' ' I' ' 29' ' ' GLN . 14.0 p -124.11 106.04 10.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 0.0 110.659 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 62' ' ' LEU . . . . . 0.974 HD21 ' CH2' ' I' ' 24' ' ' TRP . 0.8 OUTLIER -114.13 156.45 24.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.811 -1.181 . . . . 0.0 108.347 177.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' I' ' 64' ' ' GLU . 0.0 OUTLIER -155.87 4.65 0.19 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.697 -1.252 . . . . 0.0 111.693 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 64' ' ' GLU . . . . . 0.624 ' HB3' ' O ' ' I' ' 63' ' ' LYS . 6.0 pt-20 167.08 109.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.594 -1.316 . . . . 0.0 111.71 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 65' ' ' LYS . . . . . 0.685 ' HB2' ' CG1' ' I' ' 50' ' ' ILE . 0.0 OUTLIER 173.88 -53.14 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.342 -0.849 . . . . 0.0 110.629 178.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.74 -95.64 0.15 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.79 168.19 9.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.257 -1.143 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 68' ' ' THR . . . . . 0.892 HG22 ' CB ' ' I' ' 46' ' ' ALA . 0.0 OUTLIER -121.07 132.51 54.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.904 -1.122 . . . . 0.0 110.316 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 69' ' ' THR . . . . . 0.788 ' O ' ' N ' ' I' ' 46' ' ' ALA . 0.6 OUTLIER -102.4 123.38 46.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.24 -0.912 . . . . 0.0 110.604 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 70' ' ' ILE . . . . . 1.207 HD13 ' O ' ' I' ' 44' ' ' ARG . 0.4 OUTLIER -132.09 122.25 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.969 . . . . 0.0 109.287 178.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 71' ' ' SER . . . . . 0.401 ' C ' HG23 ' I' ' 72' ' ' VAL . 1.6 t -133.96 162.51 31.85 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 72' ' ' VAL . . . . . 0.751 ' O ' ' HB3' ' I' ' 80' ' ' ALA . 68.9 t -146.63 124.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.016 -1.053 . . . . 0.0 110.633 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 73' ' ' ILE . . . . . 0.545 HD12 ' CB ' ' I' ' 42' ' ' THR . 3.2 mt -110.59 138.64 37.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.466 -0.771 . . . . 0.0 109.048 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 74' ' ' SER . . . . . 0.579 ' HB3' ' HB3' ' I' ' 78' ' ' GLN . 1.3 p -73.44 147.97 43.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 75' ' ' SER . . . . . 0.813 ' HA ' ' C ' ' I' ' 40' ' ' LYS . 57.4 m -54.19 -18.85 4.24 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.581 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 76' ' ' ASP . . . . . 0.658 ' O ' ' CB ' ' I' ' 77' ' ' ASN . 12.5 t70 -87.79 3.47 48.04 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 77' ' ' ASN . . . . . 0.658 ' CB ' ' O ' ' I' ' 76' ' ' ASP . 0.6 OUTLIER 91.09 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 78' ' ' GLN . . . . . 0.579 ' HB3' ' HB3' ' I' ' 74' ' ' SER . 0.0 OUTLIER -84.2 169.47 14.76 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 175.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.22 132.58 47.27 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.237 -1.539 . . . . 0.0 112.705 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 80' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' I' ' 72' ' ' VAL . . . -132.62 148.5 52.36 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 133.14 25.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.986 -1.071 . . . . 0.0 112.05 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 82' ' ' TYR . . . . . 0.748 ' CB ' HG22 ' I' ' 70' ' ' ILE . 0.3 OUTLIER -146.49 117.79 7.89 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.202 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 83' ' ' THR . . . . . . . . . . . . . 3.0 t -123.94 135.83 53.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.139 -0.975 . . . . 0.0 111.206 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 84' ' ' ILE . . . . . 0.995 HG23 ' OD1' ' I' ' 88' ' ' ASN . 1.0 OUTLIER -76.88 123.06 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.03 -59.76 0.64 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.056 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 86' ' ' THR . . . . . 0.525 ' H ' ' HD2' ' I' ' 87' ' ' PRO . 0.1 OUTLIER -89.74 -57.08 0.27 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.528 -0.732 . . . . 0.0 111.701 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 87' ' ' PRO . . . . . 0.57 ' O ' ' CB ' ' I' ' 88' ' ' ASN . 41.0 Cg_endo -67.95 -157.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 123.528 1.278 . . . . 0.0 110.177 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 88' ' ' ASN . . . . . 0.995 ' OD1' HG23 ' I' ' 84' ' ' ILE . 3.7 m120 74.52 70.17 0.1 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -0.939 . . . . 0.0 109.904 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 89' ' ' SER . . . . . 1.047 ' O ' HD23 ' I' ' 90' ' ' LEU . 14.7 t -89.28 151.5 22.08 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 90' ' ' LEU . . . . . 1.047 HD23 ' O ' ' I' ' 89' ' ' SER . 0.8 OUTLIER -137.66 130.89 30.67 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.812 -178.549 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 91' ' ' ILE . . . . . 1.002 HD11 HG13 ' I' ' 23' ' ' VAL . 4.1 mm -105.32 133.93 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 92' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' I' ' 185' ' ' CYS . 10.2 t -133.94 119.75 14.9 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 93' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -86.69 132.14 3.44 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.78 1.411 . . . . 0.0 108.604 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 94' ' ' ASN . . . . . 0.633 ' O ' ' HB3' ' I' ' 95' ' ' MET . 2.2 m120 -117.27 102.24 9.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.159 -1.588 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 95' ' ' MET . . . . . 0.901 ' HB3' ' HB2' ' I' ' 182' ' ' TYR . 0.0 OUTLIER 174.84 74.19 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.704 178.773 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 43.6 m -65.74 -26.02 67.55 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 117.464 -1.694 . . . . 0.0 106.487 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 97' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' I' ' 98' ' ' ARG . 0.0 OUTLIER -125.49 160.73 28.77 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 98' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' I' ' 97' ' ' LYS . 7.2 mtp180 -45.21 144.49 1.34 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.212 -1.555 . . . . 0.0 109.263 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 99' ' ' VAL . . . . . 0.791 ' O ' ' HA ' ' I' ' 179' ' ' SER . 0.0 OUTLIER -141.55 164.81 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 120.54 -1.35 . . . . 0.0 113.449 -178.442 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 100' ' ' THR . . . . . 0.691 HG23 ' CB ' ' I' ' 103' ' ' ASP . 0.0 OUTLIER -100.27 166.11 11.14 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.646 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 101' ' ' TYR . . . . . 0.685 ' O ' HG23 ' I' ' 105' ' ' VAL . 2.1 t80 -59.65 -50.42 73.94 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.653 0.74 . . . . 0.0 111.646 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 102' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -70.16 -44.29 69.1 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 103' ' ' ASP . . . . . 0.691 ' CB ' HG23 ' I' ' 100' ' ' THR . 21.4 t0 -63.95 -46.64 83.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.669 -1.269 . . . . 0.0 109.754 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 104' ' ' ALA . . . . . 0.925 ' HB1' ' HB2' ' I' ' 183' ' ' ALA . . . -70.2 -38.44 75.31 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 105' ' ' VAL . . . . . 0.685 HG23 ' O ' ' I' ' 101' ' ' TYR . 4.0 t -59.15 -44.14 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 106' ' ' ASN . . . . . 0.514 ' O ' ' HB2' ' I' ' 110' ' ' ASN . 26.0 t30 -54.96 -45.33 74.9 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 122.413 1.102 . . . . 0.0 109.302 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 107' ' ' THR . . . . . 0.429 HG22 HD22 ' I' ' 94' ' ' ASN . 9.3 m -74.02 -49.13 25.65 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.87 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 108' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' I' ' 111' ' ' PHE . 14.3 t -62.12 -55.12 32.05 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.024 -1.048 . . . . 0.0 111.149 -178.42 -166.512 39.028 -148.728 104.372 2.022 104.233 -39.675 -44.873 2 2 . 1 . 001 nuclear build full ' I' I ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -25.96 66.66 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.724 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 110' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' I' ' 106' ' ' ASN . 5.0 t30 -58.2 -18.6 27.17 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 111' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' I' ' 108' ' ' CYS . 1.2 t80 -78.09 -6.12 53.66 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.782 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.52 11.75 76.94 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.62 -175.31 19.99 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 114' ' ' LYS . . . . . 0.549 ' O ' HG23 ' I' ' 186' ' ' VAL . 5.0 mtpp -130.98 170.24 14.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.76 -1.436 . . . . 0.0 110.612 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mp -85.31 159.32 56.54 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.137 -0.977 . . . . 0.0 110.622 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 116' ' ' PRO . . . . . 1.066 ' CG ' HD11 ' I' ' 122' ' ' LEU . 41.4 Cg_endo -67.93 152.66 76.79 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 124.211 1.637 . . . . 0.0 110.976 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 117' ' ' SER . . . . . 0.417 ' C ' ' OG ' ' I' ' 118' ' ' SER . 0.4 OUTLIER -68.96 -29.14 67.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.468 -0.77 . . . . 0.0 111.979 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 118' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' I' ' 121' ' ' GLU . 0.9 OUTLIER -160.79 177.24 10.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.639 -1.288 . . . . 0.0 111.943 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 119' ' ' GLN . . . . . 0.696 ' HB2' ' CD2' ' I' ' 163' ' ' TYR . 4.4 pt20 -53.35 -46.51 69.57 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.747 -0.596 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 120' ' ' ASN . . . . . 0.538 ' N ' ' CG ' ' I' ' 119' ' ' GLN . 1.0 OUTLIER -57.92 -35.44 71.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.112 -0.993 . . . . 0.0 111.327 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 121' ' ' GLU . . . . . 0.57 ' O ' HG23 ' I' ' 125' ' ' VAL . 1.6 mm-40 -53.15 -46.8 69.0 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.381 -1.449 . . . . 0.0 109.783 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 122' ' ' LEU . . . . . 1.066 HD11 ' CG ' ' I' ' 116' ' ' PRO . 5.3 mp -71.91 -51.57 21.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.493 -0.754 . . . . 0.0 110.848 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 123' ' ' GLU . . . . . 0.626 ' HB2' ' CE2' ' I' ' 163' ' ' TYR . 0.0 OUTLIER -58.55 -45.33 89.15 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.826 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 124' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -69.38 -36.97 77.31 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.196 -0.94 . . . . 0.0 108.948 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 125' ' ' VAL . . . . . 0.649 ' O ' ' CE2' ' I' ' 129' ' ' TRP . 2.6 t -66.67 -47.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.251 -0.906 . . . . 0.0 109.21 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 126' ' ' PHE . . . . . 0.99 ' HB3' ' HB2' ' I' ' 132' ' ' ALA . 0.2 OUTLIER -68.13 -46.44 70.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.617 -0.677 . . . . 0.0 110.249 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 127' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.8 -31.98 63.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.665 -1.272 . . . . 0.0 108.842 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 128' ' ' ALA . . . . . 0.513 ' C ' ' CE3' ' I' ' 129' ' ' TRP . . . -70.84 -25.15 62.7 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 108.78 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 129' ' ' TRP . . . . . 0.808 ' CZ2' HG11 ' I' ' 23' ' ' VAL . 0.4 OUTLIER -81.31 -27.08 35.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 109.666 179.179 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 130' ' ' GLY . . . . . 0.565 ' O ' ' CD ' ' I' ' 134' ' ' LYS . . . 89.82 10.04 65.39 Favored Glycine 0 N--CA 1.492 2.423 0 C-N-CA 119.997 -1.097 . . . . 0.0 110.82 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 131' ' ' ALA . . . . . 0.442 ' HB1' ' CZ ' ' I' ' 137' ' ' TYR . . . -96.88 -42.74 7.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.688 -1.478 . . . . 0.0 109.217 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 132' ' ' ALA . . . . . 1.064 ' HA ' HD13 ' I' ' 165' ' ' LEU . . . -52.0 -19.5 1.88 Allowed 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 133' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.05 59.36 0.98 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 111.074 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 134' ' ' LYS . . . . . 0.711 ' HB3' ' CB ' ' I' ' 137' ' ' TYR . 0.0 OUTLIER -104.9 5.33 32.82 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.123 -1.031 . . . . 0.0 109.569 178.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 135' ' ' TYR . . . . . 0.642 ' HA ' ' CE2' ' I' ' 138' ' ' TYR . 27.7 t80 65.9 -84.21 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.505 -0.747 . . . . 0.0 110.304 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 136' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.53 -36.52 76.29 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 137' ' ' TYR . . . . . 0.711 ' CB ' ' HB3' ' I' ' 134' ' ' LYS . 8.5 t80 -53.72 -21.93 8.15 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 138' ' ' TYR . . . . . 0.832 ' CE1' HG22 ' I' ' 166' ' ' VAL . 5.1 m-30 -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.133 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.21 -21.3 0.76 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.535 -0.728 . . . . 0.0 110.133 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 140' ' ' SER . . . . . 0.45 ' O ' ' OG ' ' I' ' 141' ' ' SER . 31.9 m -82.16 -19.07 40.7 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 141' ' ' SER . . . . . 0.601 ' O ' ' C ' ' I' ' 142' ' ' GLN . 4.3 m -175.43 74.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.067 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 142' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' I' ' 141' ' ' SER . 3.3 tt0 -26.62 -42.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.482 0.658 . . . . 0.0 110.148 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 143' ' ' THR . . . . . 0.806 HG23 ' CB ' ' I' ' 167' ' ' LYS . 5.2 m -127.72 121.23 29.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.395 -0.815 . . . . 0.0 109.629 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 144' ' ' ILE . . . . . 1.142 HD12 HD11 ' I' ' 165' ' ' LEU . 0.2 OUTLIER -116.32 107.21 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 108.664 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 145' ' ' ILE . . . . . 0.933 ' HA ' ' O ' ' I' ' 163' ' ' TYR . 0.1 OUTLIER -107.95 130.85 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.068 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 146' ' ' SER . . . . . 0.751 ' CA ' ' HB1' ' I' ' 181' ' ' ALA . 3.3 t -109.46 156.22 20.35 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.906 . . . . 0.0 111.475 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 147' ' ' TRP . . . . . 1.039 ' HD1' ' HB3' ' I' ' 181' ' ' ALA . 1.5 m95 -73.82 134.41 43.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.698 -1.252 . . . . 0.0 109.003 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 148' ' ' VAL . . . . . 0.584 HG12 ' N ' ' I' ' 149' ' ' GLN . 75.4 t -126.97 165.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-O 122.095 0.95 . . . . 0.0 111.413 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 149' ' ' GLN . . . . . 0.584 ' N ' HG12 ' I' ' 148' ' ' VAL . 7.3 tt0 -62.72 146.43 52.35 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 150' ' ' GLN . . . . . 0.956 ' HG3' ' HB2' ' I' ' 155' ' ' ALA . 2.1 pt20 -87.41 176.15 7.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.305 -1.497 . . . . 0.0 110.443 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 151' ' ' THR . . . . . 0.492 ' OG1' ' OD2' ' I' ' 154' ' ' ASP . 0.2 OUTLIER -104.8 172.3 6.86 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.76 95.95 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.169 -1.582 . . . . 0.0 108.532 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 153' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' I' ' 156' ' ' LYS . 2.7 pt20 -69.6 -49.63 52.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.693 -0.629 . . . . 0.0 112.56 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 154' ' ' ASP . . . . . 0.717 ' O ' ' HB2' ' I' ' 157' ' ' SER . 13.4 m-20 -69.08 -35.37 76.43 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.825 -1.172 . . . . 0.0 110.404 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 155' ' ' ALA . . . . . 0.956 ' HB2' ' HG3' ' I' ' 150' ' ' GLN . . . -52.23 -46.51 65.72 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.406 -1.434 . . . . 0.0 108.172 177.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 156' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' I' ' 153' ' ' GLN . 0.0 OUTLIER -63.35 -23.35 67.37 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.676 0.751 . . . . 0.0 109.224 179.078 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 157' ' ' SER . . . . . 0.717 ' HB2' ' O ' ' I' ' 154' ' ' ASP 0.255 0.6 OUTLIER -71.01 -7.41 46.13 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 175.555 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' I' I ' 158' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' I' ' 175' ' ' LYS . . . 75.16 39.69 36.37 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 106.979 -2.448 . . . . 0.0 106.979 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 159' ' ' VAL . . . . . 0.789 ' HA ' ' HB3' ' I' ' 175' ' ' LYS . 3.0 m -142.45 169.21 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.805 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 160' ' ' ALA . . . . . 0.75 ' HA ' ' HB3' ' I' ' 150' ' ' GLN . . . -124.36 166.36 16.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 161' ' ' SER . . . . . 0.569 ' O ' ' HB ' ' I' ' 148' ' ' VAL . 33.3 t -73.89 144.04 45.54 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.072 -1.643 . . . . 0.0 110.395 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 162' ' ' THR . . . . . 0.912 ' CG2' HG21 ' I' ' 174' ' ' ILE . 0.0 OUTLIER -119.3 139.46 51.9 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 163' ' ' TYR . . . . . 0.933 ' O ' ' HA ' ' I' ' 145' ' ' ILE . 0.2 OUTLIER -111.97 130.15 55.95 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.812 -1.18 . . . . 0.0 109.96 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 164' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' I' ' 169' ' ' ASN . 0.5 OUTLIER -122.53 109.61 14.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 177.074 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 165' ' ' LEU . . . . . 1.142 HD11 HD12 ' I' ' 144' ' ' ILE . 0.5 OUTLIER -78.59 -60.26 2.45 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.215 -0.928 . . . . 0.0 112.616 -176.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 166' ' ' VAL . . . . . 0.894 HG23 HD12 ' I' ' 165' ' ' LEU . 7.1 t -84.23 -16.53 10.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 112.541 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 167' ' ' LYS . . . . . 0.806 ' CB ' HG23 ' I' ' 143' ' ' THR . 1.0 OUTLIER -93.85 -18.61 21.82 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.574 -1.65 . . . . 0.0 112.93 -176.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 168' ' ' GLN . . . . . 0.856 ' O ' ' HB2' ' I' ' 169' ' ' ASN . 19.5 tt0 169.13 4.75 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 118.093 -1.443 . . . . 0.0 113.44 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 169' ' ' ASN . . . . . 0.856 ' HB2' ' O ' ' I' ' 168' ' ' GLN . 0.6 OUTLIER 96.54 -166.83 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.527 0 O-C-N 121.0 -1.063 . . . . 0.0 108.64 -177.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 170' ' ' PRO . . . . . 0.835 ' HA ' ' HA ' ' I' ' 163' ' ' TYR . 51.9 Cg_endo -81.76 158.73 18.82 Favored 'Trans proline' 0 C--N 1.315 -1.197 0 O-C-N 122.615 0.798 . . . . 0.0 111.954 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 171' ' ' LEU . . . . . 0.721 ' N ' ' O ' ' I' ' 162' ' ' THR . 12.1 tp -135.4 161.04 36.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 172' ' ' ASN . . . . . 0.594 ' O ' ' CB ' ' I' ' 173' ' ' ASN . 3.6 p-10 -118.17 145.39 44.97 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.945 0.879 . . . . 0.0 111.67 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 173' ' ' ASN . . . . . 0.762 ' HA ' ' HB ' ' I' ' 159' ' ' VAL . 0.7 OUTLIER 88.51 85.83 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.034 0.921 . . . . 0.0 110.006 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 174' ' ' ILE . . . . . 0.912 HG21 ' CG2' ' I' ' 162' ' ' THR . 22.1 mm -159.32 114.65 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 175' ' ' LYS . . . . . 0.789 ' HB3' ' HA ' ' I' ' 159' ' ' VAL . 0.0 OUTLIER 169.57 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -176.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 176' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' I' ' 175' ' ' LYS . . . -54.05 -24.76 18.35 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 177' ' ' SER . . . . . 0.791 ' O ' ' CB ' ' I' ' 178' ' ' GLU . 1.6 t -77.31 -56.95 4.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.316 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 178' ' ' GLU . . . . . 0.791 ' CB ' ' O ' ' I' ' 177' ' ' SER . 1.1 tp10 106.24 36.02 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.483 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 179' ' ' SER . . . . . 0.791 ' HA ' ' O ' ' I' ' 99' ' ' VAL . 2.6 p 150.27 62.67 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.497 -0.752 . . . . 0.0 109.394 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 180' ' ' ASN . . . . . 0.739 ' CB ' ' CG2' ' I' ' 174' ' ' ILE . 0.4 OUTLIER -99.49 3.08 45.47 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -175.098 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 181' ' ' ALA . . . . . 1.039 ' HB3' ' HD1' ' I' ' 147' ' ' TRP . . . -152.63 -86.55 0.06 Allowed 'General case' 0 C--N 1.291 -1.943 0 C-N-CA 117.676 -1.61 . . . . 0.0 110.309 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 182' ' ' TYR . . . . . 0.901 ' HB2' ' HB3' ' I' ' 95' ' ' MET . 30.7 p90 160.04 176.91 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 121.907 0.861 . . . . 0.0 112.374 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 183' ' ' ALA . . . . . 0.925 ' HB2' ' HB1' ' I' ' 104' ' ' ALA . . . -104.48 150.53 24.49 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 184' ' ' THR . . . . . 0.476 ' OG1' ' CD2' ' I' ' 122' ' ' LEU . 0.2 OUTLIER -120.19 136.61 54.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 108.766 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 185' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' I' ' 91' ' ' ILE . 10.0 m -112.38 121.7 45.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.832 -1.168 . . . . 0.0 109.832 -179.922 -44.873 -39.675 -148.728 104.233 2.022 104.372 39.028 -166.512 2 2 . 1 . 001 nuclear build full ' I' I ' 186' ' ' VAL . . . . . 0.817 HG12 HD12 ' I' ' 91' ' ' ILE . 0.0 OUTLIER -115.48 132.47 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.782 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 187' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' I' ' 186' ' ' VAL . 8.4 ttpt . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.017 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.211 0.529 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' LEU . . . . . 0.769 ' O ' HD23 ' I' ' 2' ' ' LEU . 0.1 OUTLIER -93.09 125.33 37.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.885 . . . . 0.0 110.189 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -133.09 117.14 17.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.239 -0.913 . . . . 0.0 109.749 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' ILE . . . . . 0.598 ' CA ' ' O ' ' I' ' 33' ' ' LYS . 0.9 OUTLIER -116.05 141.52 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.452 0.644 . . . . 0.0 111.647 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' I' ' 33' ' ' LYS . 2.5 t70 -88.48 135.28 33.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.438 -0.789 . . . . 0.0 109.432 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -123.62 15.1 9.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.172 -0.955 . . . . 0.0 111.079 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.89 -33.69 14.86 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -112.55 97.64 6.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.399 -1.06 . . . . 0.0 109.014 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' ILE . . . . . 1.012 ' O ' ' HA ' ' I' ' 17' ' ' LYS . 2.8 pp -98.67 140.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 C-N-CA 117.199 -1.8 . . . . 0.0 110.908 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' I' ' 30' ' ' VAL . 1.7 tt0 -99.03 112.3 24.47 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.612 -1.235 . . . . 0.0 107.685 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' ILE . . . . . 0.96 HG22 ' H ' ' I' ' 13' ' ' GLY . 1.8 mm -89.4 140.45 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.415 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 1.164 HG21 ' CE3' ' I' ' 24' ' ' TRP . 1.9 t -31.11 -16.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.786 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' GLY . . . . . 0.96 ' H ' HG22 ' I' ' 11' ' ' ILE . . . -50.92 -136.25 0.0 OUTLIER Glycine 0 N--CA 1.48 1.616 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.08 30.62 3.68 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.361 -1.082 . . . . 0.0 110.104 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.52 39.09 7.34 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.89 136.7 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.976 -1.308 . . . . 0.0 109.218 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LYS . . . . . 1.012 ' HA ' ' O ' ' I' ' 9' ' ' ILE . 26.0 pttt -122.74 116.82 24.39 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.761 -1.175 . . . . 0.0 110.848 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.29 -109.91 0.23 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.239 -1.944 . . . . 0.0 108.239 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.87 148.45 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -1.099 . . . . 0.0 109.146 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' LEU . . . . . 0.922 HD12 HD11 ' I' ' 11' ' ' ILE . 5.7 tp -81.77 116.03 60.68 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.086 -1.008 . . . . 0.0 109.879 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -87.99 -116.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 O-C-N 123.864 1.455 . . . . 0.0 109.865 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' THR . . . . . 0.819 HG23 HG23 ' I' ' 23' ' ' VAL . 1.6 t -148.98 4.91 0.65 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.898 -1.126 . . . . 0.0 111.242 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' VAL . . . . . 1.002 HG13 HD11 ' I' ' 91' ' ' ILE . 33.3 t -131.97 147.57 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' TRP . . . . . 1.173 ' C ' HD13 ' I' ' 25' ' ' LEU . 10.9 m0 -100.97 140.9 34.61 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.247 -0.908 . . . . 0.0 108.579 177.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' LEU . . . . . 1.173 HD13 ' C ' ' I' ' 24' ' ' TRP . 0.0 OUTLIER -118.49 101.13 7.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.911 -1.118 . . . . 0.0 111.167 -178.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' GLN . . . . . 0.851 ' CB ' ' O ' ' I' ' 25' ' ' LEU . 3.3 mm-40 123.04 -156.7 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.818 0 O-C-N 121.516 -0.74 . . . . 0.0 111.703 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' TYR . . . . . 0.55 ' HB3' ' HG2' ' I' ' 63' ' ' LYS . 11.0 m-85 -55.72 -54.69 41.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.659 -0.65 . . . . 0.0 111.975 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' GLY . . . . . 0.997 ' C ' HG22 ' I' ' 12' ' ' VAL . . . 144.61 67.71 0.02 OUTLIER Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLN . . . . . 1.139 ' O ' ' HA ' ' I' ' 12' ' ' VAL . 33.6 tt0 -136.37 135.91 39.19 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.464 -1.609 . . . . 0.0 112.56 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' VAL . . . . . 1.101 HG12 HG23 ' I' ' 12' ' ' VAL . 0.9 OUTLIER -134.15 153.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.074 -1.641 . . . . 0.0 108.977 178.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' I' ' 58' ' ' GLY . 38.8 t-20 -135.36 125.75 26.6 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.639 -1.224 . . . . 0.0 111.565 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' I' ' 58' ' ' GLY . 5.0 tp -110.57 154.57 23.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.549 -0.72 . . . . 0.0 109.314 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' I' ' 5' ' ' ASP . 1.2 mptp? -96.16 107.32 19.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.676 -1.265 . . . . 0.0 111.247 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' ALA . . . . . 0.706 ' O ' ' CH2' ' I' ' 43' ' ' TRP . . . -137.18 133.36 35.11 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' SER . . . . . 0.561 ' O ' ' O ' ' I' ' 36' ' ' GLY . 0.1 OUTLIER -119.83 145.97 46.15 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.62 179.325 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' I' ' 35' ' ' SER . . . -51.21 -126.82 0.0 OUTLIER Glycine 0 N--CA 1.491 2.366 0 CA-C-O 121.797 0.665 . . . . 0.0 111.62 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . 0.711 ' H ' ' CB ' ' I' ' 75' ' ' SER . . . -156.42 -108.58 0.28 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' ASN . . . . . 0.676 ' N ' ' HB2' ' I' ' 75' ' ' SER . 0.9 OUTLIER -103.57 -38.52 7.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.669 -1.489 . . . . 0.0 112.357 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' GLY . . . . . 0.559 ' N ' ' HB3' ' I' ' 75' ' ' SER . . . -135.31 -100.99 0.65 Allowed Glycine 0 N--CA 1.497 2.75 0 C-N-CA 118.824 -1.655 . . . . 0.0 112.874 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' LYS . . . . . 0.813 ' C ' ' HA ' ' I' ' 75' ' ' SER . 1.8 ttpt -74.67 115.38 14.17 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.291 -1.123 . . . . 0.0 112.728 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . 0.648 ' HD2' ' HG ' ' I' ' 75' ' ' SER . 31.9 p90 -123.68 144.93 49.34 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 42' ' ' THR . . . . . 0.645 ' C ' ' HD1' ' I' ' 43' ' ' TRP . 0.2 OUTLIER -120.32 130.97 54.67 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.992 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 43' ' ' TRP . . . . . 0.706 ' CH2' ' O ' ' I' ' 34' ' ' ALA . 12.2 m0 -119.83 141.27 49.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.958 -1.089 . . . . 0.0 110.461 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 44' ' ' ARG . . . . . 1.207 ' O ' HD13 ' I' ' 70' ' ' ILE . 0.0 OUTLIER -146.21 128.51 15.8 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 177.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 45' ' ' SER . . . . . 1.076 ' CB ' HG13 ' I' ' 60' ' ' VAL . 0.7 OUTLIER -134.96 122.1 21.42 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.777 -178.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 46' ' ' ALA . . . . . 0.892 ' CB ' HG22 ' I' ' 68' ' ' THR . . . 57.41 -8.06 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.093 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 47' ' ' ASN . . . . . 0.648 ' H ' ' C ' ' I' ' 45' ' ' SER . 0.0 OUTLIER 80.56 138.18 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.577 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 48' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.05 -32.68 52.99 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 O-C-N 123.75 1.395 . . . . 0.0 110.658 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 49' ' ' ALA . . . . . 0.599 ' HB3' ' OD1' ' I' ' 47' ' ' ASN . . . -56.18 -20.15 16.63 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.437 -0.79 . . . . 0.0 110.201 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 50' ' ' ILE . . . . . 0.907 ' O ' HD13 ' I' ' 50' ' ' ILE . 0.2 OUTLIER -126.18 -37.02 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.001 -1.062 . . . . 0.0 112.977 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 51' ' ' ALA . . . . . 0.799 ' HB3' ' HB3' ' I' ' 46' ' ' ALA . . . -128.58 159.22 36.22 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 118.274 -1.37 . . . . 0.0 112.718 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 52' ' ' SER . . . . . . . . . . . . . 9.5 m -98.96 125.29 44.37 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 53' ' ' VAL . . . . . 0.778 ' HA ' ' O ' ' I' ' 59' ' ' GLN . 0.6 OUTLIER -114.82 149.14 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 118.186 -1.406 . . . . 0.0 112.837 -177.165 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 54' ' ' ASP . . . . . 0.566 ' HB3' ' CB ' ' I' ' 59' ' ' GLN . 66.0 t0 -92.73 118.19 30.8 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 55' ' ' ALA . . . . . 0.633 ' O ' ' CZ3' ' I' ' 43' ' ' TRP . . . -75.2 -21.57 58.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.727 -0.608 . . . . 0.0 112.25 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.07 15.67 21.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.54 -1.35 . . . . 0.0 109.212 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . 0.579 ' O ' ' N ' ' I' ' 59' ' ' GLN . 47.7 t -175.62 113.87 0.13 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 58' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' I' ' 31' ' ' ASN . . . -48.34 87.49 0.01 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 59' ' ' GLN . . . . . 0.778 ' O ' ' HA ' ' I' ' 53' ' ' VAL . 32.0 tt0 -117.82 111.3 18.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.949 -1.324 . . . . 0.0 109.857 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 60' ' ' VAL . . . . . 1.076 HG13 ' CB ' ' I' ' 45' ' ' SER . 0.4 OUTLIER -111.58 132.15 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.594 -1.316 . . . . 0.0 110.604 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 61' ' ' THR . . . . . 0.847 HG22 ' HG3' ' I' ' 29' ' ' GLN . 14.0 p -124.11 106.04 10.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 0.0 110.659 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 62' ' ' LEU . . . . . 0.974 HD21 ' CH2' ' I' ' 24' ' ' TRP . 0.8 OUTLIER -114.13 156.45 24.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.811 -1.181 . . . . 0.0 108.347 177.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' I' ' 64' ' ' GLU . 0.0 OUTLIER -155.87 4.65 0.19 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.697 -1.252 . . . . 0.0 111.693 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 64' ' ' GLU . . . . . 0.624 ' HB3' ' O ' ' I' ' 63' ' ' LYS . 6.0 pt-20 167.08 109.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.594 -1.316 . . . . 0.0 111.71 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 65' ' ' LYS . . . . . 0.685 ' HB2' ' CG1' ' I' ' 50' ' ' ILE . 0.0 OUTLIER 173.88 -53.14 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.342 -0.849 . . . . 0.0 110.629 178.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.74 -95.64 0.15 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.79 168.19 9.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.257 -1.143 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . 0.892 HG22 ' CB ' ' I' ' 46' ' ' ALA . 0.0 OUTLIER -121.07 132.51 54.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.904 -1.122 . . . . 0.0 110.316 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 69' ' ' THR . . . . . 0.788 ' O ' ' N ' ' I' ' 46' ' ' ALA . 0.6 OUTLIER -102.4 123.38 46.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.24 -0.912 . . . . 0.0 110.604 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 70' ' ' ILE . . . . . 1.207 HD13 ' O ' ' I' ' 44' ' ' ARG . 0.4 OUTLIER -132.09 122.25 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.969 . . . . 0.0 109.287 178.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 71' ' ' SER . . . . . 0.401 ' C ' HG23 ' I' ' 72' ' ' VAL . 1.6 t -133.96 162.51 31.85 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 72' ' ' VAL . . . . . 0.751 ' O ' ' HB3' ' I' ' 80' ' ' ALA . 68.9 t -146.63 124.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.016 -1.053 . . . . 0.0 110.633 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 73' ' ' ILE . . . . . 0.545 HD12 ' CB ' ' I' ' 42' ' ' THR . 3.2 mt -110.59 138.64 37.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.466 -0.771 . . . . 0.0 109.048 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 74' ' ' SER . . . . . 0.579 ' HB3' ' HB3' ' I' ' 78' ' ' GLN . 1.3 p -73.44 147.97 43.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 75' ' ' SER . . . . . 0.813 ' HA ' ' C ' ' I' ' 40' ' ' LYS . 57.4 m -54.19 -18.85 4.24 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.581 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 76' ' ' ASP . . . . . 0.658 ' O ' ' CB ' ' I' ' 77' ' ' ASN . 12.5 t70 -87.79 3.47 48.04 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 77' ' ' ASN . . . . . 0.658 ' CB ' ' O ' ' I' ' 76' ' ' ASP . 0.6 OUTLIER 91.09 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 78' ' ' GLN . . . . . 0.579 ' HB3' ' HB3' ' I' ' 74' ' ' SER . 0.0 OUTLIER -84.2 169.47 14.76 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 175.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.22 132.58 47.27 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.237 -1.539 . . . . 0.0 112.705 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 80' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' I' ' 72' ' ' VAL . . . -132.62 148.5 52.36 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 133.14 25.2 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.986 -1.071 . . . . 0.0 112.05 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 82' ' ' TYR . . . . . 0.748 ' CB ' HG22 ' I' ' 70' ' ' ILE . 0.3 OUTLIER -146.49 117.79 7.89 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 83' ' ' THR . . . . . . . . . . . . . 3.0 t -123.94 135.83 53.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.139 -0.975 . . . . 0.0 111.206 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 84' ' ' ILE . . . . . 0.995 HG23 ' OD1' ' I' ' 88' ' ' ASN . 1.0 OUTLIER -76.88 123.06 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.03 -59.76 0.64 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.056 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 86' ' ' THR . . . . . 0.525 ' H ' ' HD2' ' I' ' 87' ' ' PRO . 0.1 OUTLIER -89.74 -57.08 0.27 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.528 -0.732 . . . . 0.0 111.701 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 87' ' ' PRO . . . . . 0.57 ' O ' ' CB ' ' I' ' 88' ' ' ASN . 41.0 Cg_endo -67.95 -157.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 123.528 1.278 . . . . 0.0 110.177 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 88' ' ' ASN . . . . . 0.995 ' OD1' HG23 ' I' ' 84' ' ' ILE . 3.7 m120 74.52 70.17 0.1 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -0.939 . . . . 0.0 109.904 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . 1.047 ' O ' HD23 ' I' ' 90' ' ' LEU . 14.7 t -89.28 151.5 22.08 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 90' ' ' LEU . . . . . 1.047 HD23 ' O ' ' I' ' 89' ' ' SER . 0.8 OUTLIER -137.66 130.89 30.67 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.812 -178.549 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 91' ' ' ILE . . . . . 1.002 HD11 HG13 ' I' ' 23' ' ' VAL . 4.1 mm -105.32 133.93 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 92' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' I' ' 185' ' ' CYS . 10.2 t -133.94 119.75 14.9 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 93' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -86.69 132.14 3.44 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.78 1.411 . . . . 0.0 108.604 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 94' ' ' ASN . . . . . 0.633 ' O ' ' HB3' ' I' ' 95' ' ' MET . 2.2 m120 -117.27 102.24 9.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.159 -1.588 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 95' ' ' MET . . . . . 0.901 ' HB3' ' HB2' ' I' ' 182' ' ' TYR . 0.0 OUTLIER 174.84 74.19 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.704 178.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 43.6 m -65.74 -26.02 67.55 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 117.464 -1.694 . . . . 0.0 106.487 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 97' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' I' ' 98' ' ' ARG . 0.0 OUTLIER -125.49 160.73 28.77 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 98' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' I' ' 97' ' ' LYS . 7.2 mtp180 -45.21 144.49 1.34 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.212 -1.555 . . . . 0.0 109.263 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 99' ' ' VAL . . . . . 0.791 ' O ' ' HA ' ' I' ' 179' ' ' SER . 0.0 OUTLIER -141.55 164.81 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 120.54 -1.35 . . . . 0.0 113.449 -178.442 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 100' ' ' THR . . . . . 0.691 HG23 ' CB ' ' I' ' 103' ' ' ASP . 0.0 OUTLIER -100.27 166.11 11.14 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.646 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 101' ' ' TYR . . . . . 0.685 ' O ' HG23 ' I' ' 105' ' ' VAL . 2.1 t80 -59.65 -50.42 73.94 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.653 0.74 . . . . 0.0 111.646 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 102' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -70.16 -44.29 69.1 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 103' ' ' ASP . . . . . 0.691 ' CB ' HG23 ' I' ' 100' ' ' THR . 21.4 t0 -63.95 -46.64 83.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.669 -1.269 . . . . 0.0 109.754 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 104' ' ' ALA . . . . . 0.925 ' HB1' ' HB2' ' I' ' 183' ' ' ALA . . . -70.2 -38.44 75.31 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 105' ' ' VAL . . . . . 0.685 HG23 ' O ' ' I' ' 101' ' ' TYR . 4.0 t -59.15 -44.14 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 106' ' ' ASN . . . . . 0.514 ' O ' ' HB2' ' I' ' 110' ' ' ASN . 26.0 t30 -54.96 -45.33 74.9 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 122.413 1.102 . . . . 0.0 109.302 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . 0.429 HG22 HD22 ' I' ' 94' ' ' ASN . 9.3 m -74.02 -49.13 25.65 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.87 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 108' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' I' ' 111' ' ' PHE . 14.3 t -62.12 -55.12 32.05 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.024 -1.048 . . . . 0.0 111.149 -178.42 -166.512 39.028 -148.728 104.372 2.022 104.233 -39.675 -44.873 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -25.96 66.66 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.724 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 110' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' I' ' 106' ' ' ASN . 1.6 t-20 -58.2 -18.6 27.17 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 111' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' I' ' 108' ' ' CYS . 1.2 t80 -78.09 -6.12 53.66 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.782 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.52 11.75 76.94 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.62 -175.31 19.99 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 114' ' ' LYS . . . . . 0.549 ' O ' HG23 ' I' ' 186' ' ' VAL . 5.0 mtpp -130.98 170.24 14.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.76 -1.436 . . . . 0.0 110.612 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mp -85.31 159.32 56.54 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.137 -0.977 . . . . 0.0 110.622 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 116' ' ' PRO . . . . . 1.066 ' CG ' HD11 ' I' ' 122' ' ' LEU . 41.4 Cg_endo -67.93 152.66 76.79 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 124.211 1.637 . . . . 0.0 110.976 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 117' ' ' SER . . . . . 0.417 ' C ' ' OG ' ' I' ' 118' ' ' SER . 0.4 OUTLIER -68.96 -29.14 67.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.468 -0.77 . . . . 0.0 111.979 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 118' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' I' ' 121' ' ' GLU . 0.9 OUTLIER -160.79 177.24 10.63 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.639 -1.288 . . . . 0.0 111.943 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 119' ' ' GLN . . . . . 0.696 ' HB2' ' CD2' ' I' ' 163' ' ' TYR . 4.4 pt20 -53.35 -46.51 69.57 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.747 -0.596 . . . . 0.0 111.008 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 120' ' ' ASN . . . . . 0.538 ' N ' ' CG ' ' I' ' 119' ' ' GLN . 1.0 OUTLIER -57.92 -35.44 71.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.112 -0.993 . . . . 0.0 111.327 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 121' ' ' GLU . . . . . 0.57 ' O ' HG23 ' I' ' 125' ' ' VAL . 1.6 mm-40 -53.15 -46.8 69.0 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.381 -1.449 . . . . 0.0 109.783 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 122' ' ' LEU . . . . . 1.066 HD11 ' CG ' ' I' ' 116' ' ' PRO . 5.3 mp -71.91 -51.57 21.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.493 -0.754 . . . . 0.0 110.848 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 123' ' ' GLU . . . . . 0.626 ' HB2' ' CE2' ' I' ' 163' ' ' TYR . 0.0 OUTLIER -58.55 -45.33 89.15 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.826 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 124' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -69.38 -36.97 77.31 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.196 -0.94 . . . . 0.0 108.948 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 125' ' ' VAL . . . . . 0.649 ' O ' ' CE2' ' I' ' 129' ' ' TRP . 2.6 t -66.67 -47.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.251 -0.906 . . . . 0.0 109.21 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 126' ' ' PHE . . . . . 0.99 ' HB3' ' HB2' ' I' ' 132' ' ' ALA . 0.2 OUTLIER -68.13 -46.44 70.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.617 -0.677 . . . . 0.0 110.249 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 127' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.8 -31.98 63.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.665 -1.272 . . . . 0.0 108.842 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 128' ' ' ALA . . . . . 0.513 ' C ' ' CE3' ' I' ' 129' ' ' TRP . . . -70.84 -25.15 62.7 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.956 -1.09 . . . . 0.0 108.78 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 129' ' ' TRP . . . . . 0.808 ' CZ2' HG11 ' I' ' 23' ' ' VAL . 0.4 OUTLIER -81.31 -27.08 35.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 109.666 179.179 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 130' ' ' GLY . . . . . 0.565 ' O ' ' CD ' ' I' ' 134' ' ' LYS . . . 89.82 10.04 65.39 Favored Glycine 0 N--CA 1.492 2.423 0 C-N-CA 119.997 -1.097 . . . . 0.0 110.82 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 131' ' ' ALA . . . . . 0.442 ' HB1' ' CZ ' ' I' ' 137' ' ' TYR . . . -96.88 -42.74 7.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.688 -1.478 . . . . 0.0 109.217 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 132' ' ' ALA . . . . . 1.064 ' HA ' HD13 ' I' ' 165' ' ' LEU . . . -52.0 -19.5 1.88 Allowed 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 133' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.05 59.36 0.98 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 111.074 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 134' ' ' LYS . . . . . 0.711 ' HB3' ' CB ' ' I' ' 137' ' ' TYR . 0.0 OUTLIER -104.9 5.33 32.82 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.123 -1.031 . . . . 0.0 109.569 178.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 135' ' ' TYR . . . . . 0.642 ' HA ' ' CE2' ' I' ' 138' ' ' TYR . 27.7 t80 65.9 -84.21 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.505 -0.747 . . . . 0.0 110.304 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 136' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.53 -36.52 76.29 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 137' ' ' TYR . . . . . 0.711 ' CB ' ' HB3' ' I' ' 134' ' ' LYS . 8.5 t80 -53.72 -21.93 8.15 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.008 -1.077 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 138' ' ' TYR . . . . . 0.832 ' CE1' HG22 ' I' ' 166' ' ' VAL . 5.1 m-30 -55.85 -31.08 62.43 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.133 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.21 -21.3 0.76 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.535 -0.728 . . . . 0.0 110.133 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 140' ' ' SER . . . . . 0.45 ' O ' ' OG ' ' I' ' 141' ' ' SER . 31.9 m -82.16 -19.07 40.7 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 141' ' ' SER . . . . . 0.601 ' O ' ' C ' ' I' ' 142' ' ' GLN . 4.3 m -175.43 74.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.067 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 142' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' I' ' 141' ' ' SER . 2.7 tt0 -26.62 -42.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.482 0.658 . . . . 0.0 110.148 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 143' ' ' THR . . . . . 0.806 HG23 ' CB ' ' I' ' 167' ' ' LYS . 5.2 m -127.72 121.23 29.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.395 -0.815 . . . . 0.0 109.629 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 144' ' ' ILE . . . . . 1.142 HD12 HD11 ' I' ' 165' ' ' LEU . 0.2 OUTLIER -116.32 107.21 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 108.664 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 145' ' ' ILE . . . . . 0.933 ' HA ' ' O ' ' I' ' 163' ' ' TYR . 0.1 OUTLIER -107.95 130.85 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.068 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 146' ' ' SER . . . . . 0.751 ' CA ' ' HB1' ' I' ' 181' ' ' ALA . 3.3 t -109.46 156.22 20.35 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.906 . . . . 0.0 111.475 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 147' ' ' TRP . . . . . 1.039 ' HD1' ' HB3' ' I' ' 181' ' ' ALA . 1.5 m95 -73.82 134.41 43.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.698 -1.252 . . . . 0.0 109.003 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 148' ' ' VAL . . . . . 0.584 HG12 ' N ' ' I' ' 149' ' ' GLN . 75.4 t -126.97 165.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-O 122.095 0.95 . . . . 0.0 111.413 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 149' ' ' GLN . . . . . 0.584 ' N ' HG12 ' I' ' 148' ' ' VAL . 7.3 tt0 -62.72 146.43 52.35 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 150' ' ' GLN . . . . . 0.956 ' HG3' ' HB2' ' I' ' 155' ' ' ALA . 2.1 pt20 -87.41 176.15 7.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.305 -1.497 . . . . 0.0 110.443 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 151' ' ' THR . . . . . 0.492 ' OG1' ' OD2' ' I' ' 154' ' ' ASP . 0.2 OUTLIER -104.8 172.3 6.86 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.76 95.95 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.169 -1.582 . . . . 0.0 108.532 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 153' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' I' ' 156' ' ' LYS . 2.7 pt20 -69.6 -49.63 52.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.693 -0.629 . . . . 0.0 112.56 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 154' ' ' ASP . . . . . 0.717 ' O ' ' HB2' ' I' ' 157' ' ' SER . 13.4 m-20 -69.08 -35.37 76.43 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.825 -1.172 . . . . 0.0 110.404 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 155' ' ' ALA . . . . . 0.956 ' HB2' ' HG3' ' I' ' 150' ' ' GLN . . . -52.23 -46.51 65.72 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.406 -1.434 . . . . 0.0 108.172 177.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 156' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' I' ' 153' ' ' GLN . 0.0 OUTLIER -63.35 -23.35 67.37 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.676 0.751 . . . . 0.0 109.224 179.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 157' ' ' SER . . . . . 0.717 ' HB2' ' O ' ' I' ' 154' ' ' ASP 0.255 0.6 OUTLIER -71.01 -7.41 46.13 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 175.555 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' I' I ' 158' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' I' ' 175' ' ' LYS . . . 75.16 39.69 36.37 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 106.979 -2.448 . . . . 0.0 106.979 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 159' ' ' VAL . . . . . 0.789 ' HA ' ' HB3' ' I' ' 175' ' ' LYS . 3.0 m -142.45 169.21 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.805 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . 0.75 ' HA ' ' HB3' ' I' ' 150' ' ' GLN . . . -124.36 166.36 16.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 161' ' ' SER . . . . . 0.569 ' O ' ' HB ' ' I' ' 148' ' ' VAL . 33.3 t -73.89 144.04 45.54 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.072 -1.643 . . . . 0.0 110.395 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 162' ' ' THR . . . . . 0.912 ' CG2' HG21 ' I' ' 174' ' ' ILE . 0.0 OUTLIER -119.3 139.46 51.9 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 163' ' ' TYR . . . . . 0.933 ' O ' ' HA ' ' I' ' 145' ' ' ILE . 0.2 OUTLIER -111.97 130.15 55.95 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.812 -1.18 . . . . 0.0 109.96 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 164' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' I' ' 169' ' ' ASN . 0.5 OUTLIER -122.53 109.61 14.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 177.074 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 165' ' ' LEU . . . . . 1.142 HD11 HD12 ' I' ' 144' ' ' ILE . 0.5 OUTLIER -78.59 -60.26 2.45 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.215 -0.928 . . . . 0.0 112.616 -176.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 166' ' ' VAL . . . . . 0.894 HG23 HD12 ' I' ' 165' ' ' LEU . 7.1 t -84.23 -16.53 10.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 112.541 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 167' ' ' LYS . . . . . 0.806 ' CB ' HG23 ' I' ' 143' ' ' THR . 1.0 OUTLIER -93.85 -18.61 21.82 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.574 -1.65 . . . . 0.0 112.93 -176.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 168' ' ' GLN . . . . . 0.856 ' O ' ' HB2' ' I' ' 169' ' ' ASN . 19.5 tt0 169.13 4.75 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 118.093 -1.443 . . . . 0.0 113.44 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 169' ' ' ASN . . . . . 0.856 ' HB2' ' O ' ' I' ' 168' ' ' GLN . 0.6 OUTLIER 96.54 -166.83 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.527 0 O-C-N 121.0 -1.063 . . . . 0.0 108.64 -177.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 170' ' ' PRO . . . . . 0.835 ' HA ' ' HA ' ' I' ' 163' ' ' TYR . 51.9 Cg_endo -81.76 158.73 18.82 Favored 'Trans proline' 0 C--N 1.315 -1.197 0 O-C-N 122.615 0.798 . . . . 0.0 111.954 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 171' ' ' LEU . . . . . 0.721 ' N ' ' O ' ' I' ' 162' ' ' THR . 12.1 tp -135.4 161.04 36.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 172' ' ' ASN . . . . . 0.594 ' O ' ' CB ' ' I' ' 173' ' ' ASN . 3.6 p-10 -118.17 145.39 44.97 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.945 0.879 . . . . 0.0 111.67 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 173' ' ' ASN . . . . . 0.762 ' HA ' ' HB ' ' I' ' 159' ' ' VAL . 0.7 OUTLIER 88.51 85.83 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.034 0.921 . . . . 0.0 110.006 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 174' ' ' ILE . . . . . 0.912 HG21 ' CG2' ' I' ' 162' ' ' THR . 22.1 mm -159.32 114.65 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 175' ' ' LYS . . . . . 0.789 ' HB3' ' HA ' ' I' ' 159' ' ' VAL . 0.0 OUTLIER 169.57 -30.43 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -176.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 176' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' I' ' 175' ' ' LYS . . . -54.05 -24.76 18.35 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 177' ' ' SER . . . . . 0.791 ' O ' ' CB ' ' I' ' 178' ' ' GLU . 1.6 t -77.31 -56.95 4.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.316 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 178' ' ' GLU . . . . . 0.791 ' CB ' ' O ' ' I' ' 177' ' ' SER . 1.1 tp10 106.24 36.02 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.483 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 179' ' ' SER . . . . . 0.791 ' HA ' ' O ' ' I' ' 99' ' ' VAL . 2.6 p 150.27 62.67 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.497 -0.752 . . . . 0.0 109.394 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 180' ' ' ASN . . . . . 0.739 ' CB ' ' CG2' ' I' ' 174' ' ' ILE . 2.3 m-20 -99.49 3.08 45.47 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -175.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 181' ' ' ALA . . . . . 1.039 ' HB3' ' HD1' ' I' ' 147' ' ' TRP . . . -152.63 -86.55 0.06 Allowed 'General case' 0 C--N 1.291 -1.943 0 C-N-CA 117.676 -1.61 . . . . 0.0 110.309 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 182' ' ' TYR . . . . . 0.901 ' HB2' ' HB3' ' I' ' 95' ' ' MET . 30.7 p90 160.04 176.91 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 121.907 0.861 . . . . 0.0 112.374 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 183' ' ' ALA . . . . . 0.925 ' HB2' ' HB1' ' I' ' 104' ' ' ALA . . . -104.48 150.53 24.49 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.622 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 184' ' ' THR . . . . . 0.476 ' OG1' ' CD2' ' I' ' 122' ' ' LEU . 0.2 OUTLIER -120.19 136.61 54.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 108.766 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 185' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' I' ' 91' ' ' ILE . 10.0 m -112.38 121.7 45.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.832 -1.168 . . . . 0.0 109.832 -179.922 -44.873 -39.675 -148.728 104.233 2.022 104.372 39.028 -166.512 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 186' ' ' VAL . . . . . 0.817 HG12 HD12 ' I' ' 91' ' ' ILE . 0.0 OUTLIER -115.48 132.47 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.782 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 187' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' I' ' 186' ' ' VAL . 8.4 ttpt . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.017 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 stop_ save_