data_1fbr_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 1fbr _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.568 -0.53 . . . . 4.04 109.568 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.54 115.17 9.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 3.73 109.255 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -85.71 155.66 20.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.893 . . . . 3.75 109.788 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 41' ' ' ILE . 20.3 m -118.6 64.14 0.77 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 1.84 109.74 -179.793 -80.545 115.881 50.763 103.96 2.019 104.098 80.003 169.959 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.16 125.54 9.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -0.947 . . . . 3.55 109.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.466 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 36.1 t0 -86.75 1.68 51.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 2.39 109.389 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 54.9 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.627 -0.671 . . . . 3.75 111.538 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ASP . . . -47.33 -23.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.596 -1.315 . . . . 2.77 109.259 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.71 -34.15 14.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.466 -0.771 . . . . 2.61 109.568 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.68 80.09 Favored Glycine 0 N--CA 1.482 1.716 0 N-CA-C 109.259 -1.536 . . . . 2.61 109.259 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -121.75 143.99 49.06 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.479 -1.012 . . . . 2.9 109.148 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.413 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p -98.3 167.97 10.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.96 109.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.684 ' CE1' ' CG ' ' A' ' 19' ' ' TRP . 30.6 m-85 -150.13 93.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.833 . . . . 2.54 109.435 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' TYR . 41.7 t -41.85 144.94 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.561 -0.712 . . . . 3.3 109.676 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 9.8 p -41.17 145.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.472 -0.768 . . . . 3.33 109.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.86 36.89 61.15 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.685 -1.366 . . . . 2.3 109.685 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 32' ' ' THR . 1.6 mm-40 -117.67 170.25 8.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.165 -1.197 . . . . 2.68 109.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.449 HG23 ' OD2' ' A' ' 30' ' ' ASP . 5.8 m -152.93 131.93 12.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.274 -0.891 . . . . 1.86 109.258 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.684 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.3 p90 -145.97 -178.79 6.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 1.28 109.835 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.72 138.33 39.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 2.82 109.345 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -143.69 114.4 5.57 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.929 . . . . 3.9 109.403 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 28' ' ' MET . 1.8 Cg_endo -62.56 125.14 15.51 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.999 1.799 . . . . 2.13 110.088 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.513 ' HB3' ' CB ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -69.6 -120.07 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -0.981 . . . . 3.27 109.412 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' TYR . 19.7 mt-30 -43.85 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.723 -1.235 . . . . 4.3 109.851 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.89 -45.0 0.18 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.044 -1.222 . . . . 2.98 110.044 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.6 ' CE2' ' HA ' ' A' ' 55' ' ' ARG . 58.5 p-90 -102.87 -37.12 7.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.425 -1.044 . . . . 2.88 109.34 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.513 ' CB ' ' HB3' ' A' ' 23' ' ' TYR . 12.4 mtt -46.75 158.1 0.13 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.463 -0.773 . . . . 3.34 109.792 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.538 ' CG ' ' CB ' ' A' ' 57' ' ' SER . 1.9 ptp -159.14 134.21 8.26 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.611 -0.885 . . . . 3.25 108.611 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 45' ' ' SER . 35.2 m -140.42 165.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 O-C-N 121.48 -0.763 . . . . 2.64 109.463 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD2' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -86.15 108.15 18.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 2.38 109.375 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 17.3 m -88.15 115.98 26.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.225 -0.922 . . . . 1.03 108.826 179.824 -81.423 -65.484 111.688 104.391 2.02 104.149 -108.617 -55.196 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 17' ' ' GLU . 98.4 m -106.42 145.28 31.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.073 -1.017 . . . . 2.07 109.615 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 15' ' ' VAL . 14.8 t -95.78 139.42 32.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.379 -0.826 . . . . 1.83 109.61 -179.856 169.959 80.003 50.763 104.098 2.019 103.96 115.881 -80.545 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -128.1 -2.61 5.76 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.559 -0.713 . . . . 3.26 109.168 179.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 34' ' ' LEU . . . 46.13 99.42 0.01 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.457 -1.057 . . . . 3.16 110.457 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.27 -37.5 5.75 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.088 -1.242 . . . . 4.99 109.44 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.41 -42.41 0.04 OUTLIER Glycine 0 N--CA 1.481 1.669 0 N-CA-C 109.823 -1.311 . . . . 4.03 109.823 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.4 p -124.45 0.11 8.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.236 -1.156 . . . . 4.06 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.39 80.39 0.92 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.959 -1.256 . . . . 2.73 109.959 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -95.2 147.84 23.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -1.087 . . . . 4.38 108.818 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' ' 31' ' ' CYS . 3.5 mp -134.96 112.79 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.073 -1.017 . . . . 1.79 109.954 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.541 ' O ' ' CG2' ' A' ' 42' ' ' THR . 10.6 t -83.55 93.17 7.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.33 109.52 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 59.3 m -87.63 129.61 35.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.112 -0.993 . . . . 1.98 109.623 -179.916 -55.196 -108.617 111.688 104.149 2.02 104.391 -65.484 -81.423 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.13 147.55 28.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.443 -0.786 . . . . 3.08 109.393 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 6.3 p -111.99 91.08 3.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 3.45 109.278 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HD2' ' O ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -103.2 -21.93 13.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.092 -1.005 . . . . 5.74 109.087 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.407 ' OD1' HD13 ' A' ' 60' ' ' ILE . 3.4 m-20 -121.66 12.21 10.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 3.55 109.648 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.495 ' CG ' HH11 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -129.16 71.09 1.42 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.214 -0.929 . . . . 4.8 109.245 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ARG . 72.8 m -45.85 136.63 6.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.953 -1.092 . . . . 2.0 109.301 179.93 -61.89 105.218 69.022 104.059 2.02 104.152 62.318 -169.873 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.517 ' O ' ' CZ3' ' A' ' 86' ' ' TRP . 0.6 OUTLIER -133.37 125.43 29.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.119 -0.988 . . . . 3.72 109.477 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.535 ' O ' ' CH2' ' A' ' 26' ' ' TRP . 19.6 t0 -104.16 130.75 51.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 2.58 109.434 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' OE1' ' HE2' ' A' ' 27' ' ' MET . 29.3 mt-30 -90.12 7.02 39.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.141 -0.974 . . . . 3.33 109.652 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.528 ' CB ' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -91.89 -31.21 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.182 -0.949 . . . . 2.72 109.309 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.95 -4.98 14.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 2.32 109.195 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' A' ' 26' ' ' TRP . 21.9 mtt180 57.99 60.37 2.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 4.51 109.515 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.551 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 4.7 t -162.43 120.01 2.09 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.29 -0.881 . . . . 2.68 109.393 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.538 ' CB ' ' CG ' ' A' ' 28' ' ' MET . 43.8 t -78.43 119.65 22.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 3.33 109.479 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.688 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 91.2 m-85 -85.78 -172.73 4.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.286 -0.884 . . . . 2.42 109.242 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -124.89 -164.28 1.26 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.211 -0.93 . . . . 4.56 109.664 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.407 HD13 ' OD1' ' A' ' 47' ' ' ASN . 11.5 mm -83.83 132.51 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.33 -0.856 . . . . 3.14 109.604 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 9.22 85.35 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.797 -1.321 . . . . 2.04 109.797 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' C ' ' CG2' ' A' ' 63' ' ' THR . 5.7 m-20 -89.62 -177.23 5.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.176 -1.191 . . . . 3.1 109.486 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 HD13 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -160.46 142.48 12.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 2.12 108.977 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.688 ' CG ' ' CZ ' ' A' ' 58' ' ' TYR . 41.7 p90 -157.47 135.11 10.62 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.142 -0.974 . . . . 1.27 109.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -74.4 141.59 45.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 2.64 109.225 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.528 ' HG3' ' CB ' ' A' ' 53' ' ' ASP . 10.8 tttt -153.04 109.92 3.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 3.68 109.629 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -63.39 -178.41 0.26 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.392 -0.817 . . . . 3.41 109.589 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.05 -95.22 0.41 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.214 -0.929 . . . . 3.45 109.426 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.12 10.22 1.72 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.095 -1.003 . . . . 4.82 109.53 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.49 -29.76 7.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.217 -0.927 . . . . 6.82 108.922 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.48 -2.04 6.09 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.849 -1.3 . . . . 4.51 109.849 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -66.61 -155.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.187 -1.184 . . . . 4.47 109.42 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 91' ' ' HIS . 3.8 tp -156.34 95.07 1.55 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.253 -0.904 . . . . 3.26 109.004 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 1.6 mp -81.91 104.99 12.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.885 . . . . 2.78 110.185 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 65' ' ' SER . 12.3 tt0 -66.68 87.78 0.13 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.474 -0.935 . . . . 3.03 108.474 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 4.0 m -79.57 168.73 19.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.221 -0.924 . . . . 0.98 110.75 -178.668 -40.151 -117.985 107.132 104.093 2.02 104.264 -63.952 -78.846 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 86' ' ' TRP . 0.4 OUTLIER -156.4 140.01 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.207 -0.664 . . . . 1.78 109.207 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.424 ' N ' HG13 ' A' ' 77' ' ' ILE . 28.4 t -81.59 74.57 8.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.113 -0.992 . . . . 1.55 109.394 179.898 -169.873 62.318 69.022 104.152 2.02 104.059 105.218 -61.89 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -32.51 63.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 2.39 109.908 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA2' ' HA2' ' A' ' 84' ' ' GLY . . . 54.28 96.13 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.485 -1.446 . . . . 2.55 109.485 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 81' ' ' ASN . 24.1 t-20 -141.45 53.71 1.53 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.156 -1.203 . . . . 3.43 109.971 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' O ' ' HD2' ' A' ' 46' ' ' ARG . . . 116.91 -38.32 3.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.733 -1.223 . . . . 3.66 110.185 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' CG ' ' C ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER -151.91 25.42 0.65 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.981 -1.305 . . . . 5.64 109.896 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.503 ' HA2' ' HA2' ' A' ' 80' ' ' GLY . . . 66.71 73.03 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.305 -1.518 . . . . 2.84 109.305 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.44 50.5 2.01 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.371 -1.076 . . . . 4.21 109.356 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.598 ' CD1' ' CZ2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.53 101.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.73 -0.841 . . . . 2.07 108.73 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 76' ' ' CYS . 14.7 mtmt -87.79 172.14 9.88 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.518 -0.739 . . . . 4.29 110.61 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 29.6 m -133.72 128.94 35.96 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.994 -0.743 . . . . 1.97 108.994 179.553 -78.846 -63.952 107.132 104.264 2.02 104.093 -117.985 -40.151 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 25.3 tt0 -120.83 108.56 14.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.0 . . . . 3.06 109.682 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -50.19 174.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.388 -0.82 . . . . 5.69 109.569 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.513 ' CE1' HD21 ' A' ' 73' ' ' LEU . 14.4 m170 -73.71 111.27 8.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.258 -0.901 . . . . 4.11 108.772 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.33 66.62 3.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.207 -0.933 . . . . 4.67 109.806 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 117.912 -1.042 . . . . 7.5 109.16 179.683 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.568 -0.53 . . . . 3.82 109.568 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.54 115.17 9.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 3.73 109.255 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -85.71 155.66 20.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.893 . . . . 3.36 109.788 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.475 ' HB3' ' CG1' ' A' ' 41' ' ' ILE . 20.3 m -118.6 64.14 0.77 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 1.84 109.74 -179.793 -80.545 115.881 50.763 103.96 2.019 104.098 80.003 169.959 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.16 125.54 9.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -0.947 . . . . 2.86 109.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.673 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 36.1 t0 -86.75 1.68 51.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 2.39 109.389 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 54.9 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.627 -0.671 . . . . 3.53 111.538 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ASP . . . -47.33 -23.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.596 -1.315 . . . . 2.36 109.259 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . . . -92.71 -34.15 14.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.466 -0.771 . . . . 2.61 109.568 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.68 80.09 Favored Glycine 0 N--CA 1.482 1.716 0 N-CA-C 109.259 -1.536 . . . . 2.61 109.259 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -121.75 143.99 49.06 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.479 -1.012 . . . . 2.5 109.148 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.413 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p -98.3 167.97 10.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.82 109.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.684 ' CE1' ' CG ' ' A' ' 19' ' ' TRP . 30.6 m-85 -150.13 93.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.833 . . . . 1.89 109.435 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' TYR . 41.7 t -41.85 144.94 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.561 -0.712 . . . . 2.83 109.676 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 9.8 p -41.17 145.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.472 -0.768 . . . . 2.93 109.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.86 36.89 61.15 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.685 -1.366 . . . . 2.1 109.685 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' THR . 1.6 mm-40 -117.67 170.25 8.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.165 -1.197 . . . . 2.68 109.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.496 HG23 ' OG1' ' A' ' 32' ' ' THR . 5.8 m -152.93 131.93 12.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.274 -0.891 . . . . 1.33 109.258 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.684 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.3 p90 -145.97 -178.79 6.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 1.11 109.835 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.72 138.33 39.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 2.82 109.345 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -143.69 114.4 5.57 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.929 . . . . 3.33 109.403 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 28' ' ' MET . 1.8 Cg_endo -62.56 125.14 15.51 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.999 1.799 . . . . 1.97 110.088 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HB3' ' CB ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -69.6 -120.07 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -0.981 . . . . 2.69 109.412 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' TYR . 19.7 mt-30 -43.85 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.723 -1.235 . . . . 3.84 109.851 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.89 -45.0 0.18 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.044 -1.222 . . . . 2.98 110.044 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 55' ' ' ARG . 58.5 p-90 -102.87 -37.12 7.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.425 -1.044 . . . . 2.64 109.34 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.684 ' HE3' ' HG2' ' A' ' 52' ' ' GLN . 12.4 mtt -46.75 158.1 0.13 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.463 -0.773 . . . . 3.03 109.792 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.538 ' CG ' ' CB ' ' A' ' 57' ' ' SER . 1.9 ptp -159.14 134.21 8.26 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.611 -0.885 . . . . 2.79 108.611 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.893 HG12 ' HB3' ' A' ' 45' ' ' SER . 35.2 m -140.42 165.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 O-C-N 121.48 -0.763 . . . . 2.02 109.463 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.15 108.15 18.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 2.38 109.375 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 17.3 m -88.15 115.98 26.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.225 -0.922 . . . . 1.03 108.826 179.824 -81.423 -65.484 111.688 104.391 2.02 104.149 -108.617 -55.196 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 17' ' ' GLU . 98.4 m -106.42 145.28 31.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.073 -1.017 . . . . 1.41 109.615 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 15' ' ' VAL . 14.8 t -95.78 139.42 32.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.379 -0.826 . . . . 1.83 109.61 -179.856 169.959 80.003 50.763 104.098 2.019 103.96 115.881 -80.545 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -128.1 -2.61 5.76 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.559 -0.713 . . . . 2.75 109.168 179.324 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 34' ' ' LEU . . . 46.13 99.42 0.01 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.457 -1.057 . . . . 3.16 110.457 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.27 -37.5 5.75 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.088 -1.242 . . . . 4.99 109.44 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.41 -42.41 0.04 OUTLIER Glycine 0 N--CA 1.481 1.669 0 N-CA-C 109.823 -1.311 . . . . 4.03 109.823 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.4 p -124.45 0.11 8.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.236 -1.156 . . . . 3.71 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.39 80.39 0.92 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.959 -1.256 . . . . 2.69 109.959 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 5.7 tpt180 -95.2 147.84 23.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -1.087 . . . . 3.97 108.818 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' A' ' 31' ' ' CYS . 3.5 mp -134.96 112.79 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.073 -1.017 . . . . 1.63 109.954 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.802 ' O ' HG23 ' A' ' 42' ' ' THR . 10.6 t -83.55 93.17 7.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.19 109.52 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.532 ' SG ' HG22 ' A' ' 41' ' ' ILE . 59.3 m -87.63 129.61 35.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.112 -0.993 . . . . 1.98 109.623 -179.916 -55.196 -108.617 111.688 104.149 2.02 104.391 -65.484 -81.423 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.13 147.55 28.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.443 -0.786 . . . . 2.41 109.393 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.893 ' HB3' HG12 ' A' ' 29' ' ' VAL . 6.3 p -111.99 91.08 3.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 3.32 109.278 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -103.2 -21.93 13.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.092 -1.005 . . . . 5.29 109.087 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' OD1' HD11 ' A' ' 60' ' ' ILE . 3.4 m-20 -121.66 12.21 10.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 3.33 109.648 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -129.16 71.09 1.42 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.214 -0.929 . . . . 4.27 109.245 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ARG . 72.8 m -45.85 136.63 6.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.953 -1.092 . . . . 2.0 109.301 179.93 -61.89 105.218 69.022 104.059 2.02 104.152 62.318 -169.873 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.517 ' O ' ' CZ3' ' A' ' 86' ' ' TRP . 0.2 OUTLIER -133.37 125.43 29.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.119 -0.988 . . . . 3.36 109.477 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.535 ' O ' ' CH2' ' A' ' 26' ' ' TRP . 19.6 t0 -104.16 130.75 51.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 2.58 109.434 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.684 ' HG2' ' HE3' ' A' ' 27' ' ' MET . 29.3 mt-30 -90.12 7.02 39.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.141 -0.974 . . . . 3.26 109.652 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' CB ' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -91.89 -31.21 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.182 -0.949 . . . . 2.72 109.309 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.586 ' OG1' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -110.95 -4.98 14.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 1.89 109.195 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' HA ' ' CE2' ' A' ' 26' ' ' TRP . 21.9 mtt180 57.99 60.37 2.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 3.99 109.515 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 56' ' ' THR . 4.7 t -162.43 120.01 2.09 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.29 -0.881 . . . . 2.29 109.393 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.538 ' CB ' ' CG ' ' A' ' 28' ' ' MET . 43.8 t -78.43 119.65 22.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 2.94 109.479 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.688 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 91.2 m-85 -85.78 -172.73 4.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.286 -0.884 . . . . 2.19 109.242 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' HG3' ' HD3' ' A' ' 48' ' ' ARG . 3.4 ttp180 -124.89 -164.28 1.26 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.211 -0.93 . . . . 4.15 109.664 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.403 HD11 ' OD1' ' A' ' 47' ' ' ASN . 11.5 mm -83.83 132.51 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.33 -0.856 . . . . 2.77 109.604 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 9.22 85.35 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.797 -1.321 . . . . 2.02 109.797 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' C ' HG22 ' A' ' 63' ' ' THR . 5.7 m-20 -89.62 -177.23 5.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.176 -1.191 . . . . 3.1 109.486 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.492 HG22 HD12 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -160.46 142.48 12.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 1.7 108.977 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.688 ' CG ' ' CZ ' ' A' ' 58' ' ' TYR . 41.7 p90 -157.47 135.11 10.62 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.142 -0.974 . . . . 1.07 109.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.533 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -74.4 141.59 45.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 2.23 109.225 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.554 ' O ' HD12 ' A' ' 74' ' ' LEU . 10.8 tttt -153.04 109.92 3.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 3.06 109.629 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -63.39 -178.41 0.26 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.392 -0.817 . . . . 3.06 109.589 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.05 -95.22 0.41 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.214 -0.929 . . . . 3.45 109.426 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.12 10.22 1.72 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.095 -1.003 . . . . 4.31 109.53 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.49 -29.76 7.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.217 -0.927 . . . . 6.52 108.922 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.48 -2.04 6.09 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.849 -1.3 . . . . 4.1 109.849 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -66.61 -155.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.187 -1.184 . . . . 4.16 109.42 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.811 HD23 ' NE2' ' A' ' 91' ' ' HIS . 3.8 tp -156.34 95.07 1.55 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.253 -0.904 . . . . 2.76 109.004 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 66' ' ' LYS . 1.6 mp -81.91 104.99 12.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.885 . . . . 2.33 110.185 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' SER . 12.3 tt0 -66.68 87.78 0.13 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.474 -0.935 . . . . 2.64 108.474 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.612 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 4.0 m -79.57 168.73 19.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.221 -0.924 . . . . 0.98 110.75 -178.668 -40.151 -117.985 107.132 104.093 2.02 104.264 -63.952 -78.846 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 86' ' ' TRP . 0.4 OUTLIER -156.4 140.01 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.207 -0.664 . . . . 1.23 109.207 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 86' ' ' TRP . 28.4 t -81.59 74.57 8.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.113 -0.992 . . . . 1.55 109.394 179.898 -169.873 62.318 69.022 104.152 2.02 104.059 105.218 -61.89 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.412 ' H ' HG22 ' A' ' 79' ' ' THR . 0.2 OUTLIER -55.83 -32.51 63.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 2.09 109.908 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.513 ' HA2' ' HA2' ' A' ' 84' ' ' GLY . . . 54.28 96.13 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.485 -1.446 . . . . 2.55 109.485 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 3.7 t30 -141.45 53.71 1.53 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.156 -1.203 . . . . 3.31 109.971 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.461 ' O ' ' HD2' ' A' ' 46' ' ' ARG . . . 116.91 -38.32 3.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.733 -1.223 . . . . 3.33 110.185 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' CG ' ' C ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER -151.91 25.42 0.65 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.981 -1.305 . . . . 5.05 109.896 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.513 ' HA2' ' HA2' ' A' ' 80' ' ' GLY . . . 66.71 73.03 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.305 -1.518 . . . . 2.7 109.305 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.44 50.5 2.01 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.371 -1.076 . . . . 4.21 109.356 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.612 ' CD1' ' HB3' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -56.53 101.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.73 -0.841 . . . . 1.63 108.73 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 76' ' ' CYS . 14.7 mtmt -87.79 172.14 9.88 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.518 -0.739 . . . . 3.72 110.61 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.496 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 29.6 m -133.72 128.94 35.96 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.994 -0.743 . . . . 1.97 108.994 179.553 -78.846 -63.952 107.132 104.264 2.02 104.093 -117.985 -40.151 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 25.3 tt0 -120.83 108.56 14.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.0 . . . . 3.06 109.682 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -50.19 174.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.388 -0.82 . . . . 5.14 109.569 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.811 ' NE2' HD23 ' A' ' 73' ' ' LEU . 14.4 m170 -73.71 111.27 8.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.258 -0.901 . . . . 3.84 108.772 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.33 66.62 3.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.207 -0.933 . . . . 4.56 109.806 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 117.912 -1.042 . . . . 7.5 109.16 179.683 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.568 -0.53 . . . . 3.8199999999999998 109.568 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.54 115.17 9.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 3.73 109.255 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -85.71 155.66 20.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.893 . . . . 3.3599999999999999 109.788 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.475 ' HB3' ' CG1' ' A' ' 41' ' ' ILE . 20.3 m -118.6 64.14 0.77 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 1.8400000000000001 109.74 -179.793 -80.545 115.881 50.763 103.96 2.019 104.098 80.003 169.959 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.16 125.54 9.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -0.947 . . . . 2.8599999999999999 109.923 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.673 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 36.1 t0 -86.75 1.68 51.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 2.3900000000000001 109.389 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 54.9 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.627 -0.671 . . . . 3.5299999999999998 111.538 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ASP . . . -47.33 -23.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.596 -1.315 . . . . 2.3599999999999999 109.259 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . . . -92.71 -34.15 14.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.466 -0.771 . . . . 2.6099999999999999 109.568 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.68 80.09 Favored Glycine 0 N--CA 1.482 1.716 0 N-CA-C 109.259 -1.536 . . . . 2.6099999999999999 109.259 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.43 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -121.75 143.99 49.06 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.479 -1.012 . . . . 2.5 109.148 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.413 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p -98.3 167.97 10.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.8199999999999998 109.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.684 ' CE1' ' CG ' ' A' ' 19' ' ' TRP . 30.6 m-85 -150.13 93.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.833 . . . . 1.8899999999999999 109.435 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' TYR . 41.7 t -41.85 144.94 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.561 -0.712 . . . . 2.8300000000000001 109.676 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 9.8 p -41.17 145.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.472 -0.768 . . . . 2.9300000000000002 109.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.86 36.89 61.15 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.685 -1.366 . . . . 2.1000000000000001 109.685 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' THR . 1.6 mm-40 -117.67 170.25 8.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.165 -1.197 . . . . 2.6800000000000002 109.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.496 HG23 ' OG1' ' A' ' 32' ' ' THR . 5.8 m -152.93 131.93 12.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.274 -0.891 . . . . 1.3300000000000001 109.258 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.684 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.3 p90 -145.97 -178.79 6.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.224 -0.922 . . . . 1.1100000000000001 109.835 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.72 138.33 39.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 2.8199999999999998 109.345 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -143.69 114.4 5.57 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.929 . . . . 3.3300000000000001 109.403 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 28' ' ' MET . 1.8 Cg_endo -62.56 125.14 15.51 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.999 1.799 . . . . 1.97 110.088 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HB3' ' CB ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -69.6 -120.07 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -0.981 . . . . 2.6899999999999999 109.412 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' TYR . 19.7 mt-30 -43.85 -88.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.723 -1.235 . . . . 3.8399999999999999 109.851 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.89 -45.0 0.18 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.044 -1.222 . . . . 2.98 110.044 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 55' ' ' ARG . 58.5 p-90 -102.87 -37.12 7.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.425 -1.044 . . . . 2.6400000000000001 109.34 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.684 ' HE3' ' HG2' ' A' ' 52' ' ' GLN . 12.4 mtt -46.75 158.1 0.13 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.463 -0.773 . . . . 3.0299999999999998 109.792 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.538 ' CG ' ' CB ' ' A' ' 57' ' ' SER . 1.9 ptp -159.14 134.21 8.26 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.611 -0.885 . . . . 2.79 108.611 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.893 HG12 ' HB3' ' A' ' 45' ' ' SER . 35.2 m -140.42 165.64 20.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 O-C-N 121.48 -0.763 . . . . 2.02 109.463 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.15 108.15 18.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.255 -0.903 . . . . 2.3799999999999999 109.375 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 17.3 m -88.15 115.98 26.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.225 -0.922 . . . . 1.03 108.826 179.824 -81.423 -65.484 111.688 104.391 2.02 104.149 -108.617 -55.196 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 17' ' ' GLU . 98.4 m -106.42 145.28 31.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.073 -1.017 . . . . 1.4099999999999999 109.615 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 15' ' ' VAL . 14.8 t -95.78 139.42 32.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.379 -0.826 . . . . 1.8300000000000001 109.61 -179.856 169.959 80.003 50.763 104.098 2.019 103.96 115.881 -80.545 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -128.1 -2.61 5.76 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.559 -0.713 . . . . 2.75 109.168 179.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 34' ' ' LEU . . . 46.13 99.42 0.01 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.457 -1.057 . . . . 3.1600000000000001 110.457 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.27 -37.5 5.75 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.088 -1.242 . . . . 4.9900000000000002 109.44 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.41 -42.41 0.04 OUTLIER Glycine 0 N--CA 1.481 1.669 0 N-CA-C 109.823 -1.311 . . . . 4.0300000000000002 109.823 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.4 p -124.45 0.11 8.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.236 -1.156 . . . . 3.71 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.39 80.39 0.92 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.959 -1.256 . . . . 2.6899999999999999 109.959 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 5.7 tpt180 -95.2 147.84 23.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -1.087 . . . . 3.9700000000000002 108.818 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' A' ' 31' ' ' CYS . 3.5 mp -134.96 112.79 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.073 -1.017 . . . . 1.6299999999999999 109.954 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 42' ' ' THR . 10.6 t -83.55 93.17 7.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.1899999999999999 109.52 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.532 ' SG ' HG22 ' A' ' 41' ' ' ILE . 59.3 m -87.63 129.61 35.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.112 -0.993 . . . . 1.98 109.623 -179.916 -55.196 -108.617 111.688 104.149 2.02 104.391 -65.484 -81.423 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -149.13 147.55 28.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.443 -0.786 . . . . 2.4100000000000001 109.393 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.893 ' HB3' HG12 ' A' ' 29' ' ' VAL . 6.3 p -111.99 91.08 3.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 3.3199999999999998 109.278 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -103.2 -21.93 13.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.092 -1.005 . . . . 5.29 109.087 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' OD1' HD11 ' A' ' 60' ' ' ILE . 3.4 m-20 -121.66 12.21 10.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 3.3300000000000001 109.648 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -129.16 71.09 1.42 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.214 -0.929 . . . . 4.2699999999999996 109.245 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ARG . 72.8 m -45.85 136.63 6.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.953 -1.092 . . . . 2.0 109.301 179.93 -61.89 105.218 69.022 104.059 2.02 104.152 62.318 -169.873 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.517 ' O ' ' CZ3' ' A' ' 86' ' ' TRP . 0.6 OUTLIER -133.37 125.43 29.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.119 -0.988 . . . . 3.3599999999999999 109.477 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.535 ' O ' ' CH2' ' A' ' 26' ' ' TRP . 19.6 t0 -104.16 130.75 51.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 2.5800000000000001 109.434 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.684 ' HG2' ' HE3' ' A' ' 27' ' ' MET . 29.3 mt-30 -90.12 7.02 39.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.141 -0.974 . . . . 3.2599999999999998 109.652 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' CB ' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -91.89 -31.21 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.182 -0.949 . . . . 2.7200000000000002 109.309 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.586 ' OG1' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -110.95 -4.98 14.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 1.8899999999999999 109.195 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' HA ' ' CE2' ' A' ' 26' ' ' TRP . 21.9 mtt180 57.99 60.37 2.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 3.9900000000000002 109.515 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 56' ' ' THR . 4.7 t -162.43 120.01 2.09 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.29 -0.881 . . . . 2.29 109.393 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.538 ' CB ' ' CG ' ' A' ' 28' ' ' MET . 43.8 t -78.43 119.65 22.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 2.9399999999999999 109.479 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.688 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 91.2 m-85 -85.78 -172.73 4.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.286 -0.884 . . . . 2.1899999999999999 109.242 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' HG3' ' HD3' ' A' ' 48' ' ' ARG . 3.4 ttp180 -124.89 -164.28 1.26 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.211 -0.93 . . . . 4.1500000000000004 109.664 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.403 HD11 ' OD1' ' A' ' 47' ' ' ASN . 11.5 mm -83.83 132.51 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.33 -0.856 . . . . 2.77 109.604 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.25 9.22 85.35 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.797 -1.321 . . . . 2.02 109.797 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' C ' HG22 ' A' ' 63' ' ' THR . 5.7 m-20 -89.62 -177.23 5.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.176 -1.191 . . . . 3.1000000000000001 109.486 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.492 HG22 HD12 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -160.46 142.48 12.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 1.7 108.977 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.688 ' CG ' ' CZ ' ' A' ' 58' ' ' TYR . 41.7 p90 -157.47 135.11 10.62 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.142 -0.974 . . . . 1.0700000000000001 109.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.533 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -74.4 141.59 45.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 2.23 109.225 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.554 ' O ' HD12 ' A' ' 74' ' ' LEU . 10.8 tttt -153.04 109.92 3.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 3.0600000000000001 109.629 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -63.39 -178.41 0.26 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.392 -0.817 . . . . 3.0600000000000001 109.589 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.05 -95.22 0.41 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.214 -0.929 . . . . 3.4500000000000002 109.426 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.12 10.22 1.72 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.095 -1.003 . . . . 4.3099999999999996 109.53 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.49 -29.76 7.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.217 -0.927 . . . . 6.5199999999999996 108.922 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.48 -2.04 6.09 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.849 -1.3 . . . . 4.0999999999999996 109.849 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -66.61 -155.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.187 -1.184 . . . . 4.1600000000000001 109.42 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.811 HD23 ' NE2' ' A' ' 91' ' ' HIS . 3.8 tp -156.34 95.07 1.55 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.253 -0.904 . . . . 2.7599999999999998 109.004 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 66' ' ' LYS . 1.6 mp -81.91 104.99 12.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.885 . . . . 2.3300000000000001 110.185 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' SER . 12.3 tt0 -66.68 87.78 0.13 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.474 -0.935 . . . . 2.6400000000000001 108.474 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.612 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 4.0 m -79.57 168.73 19.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.221 -0.924 . . . . 0.97999999999999998 110.75 -178.668 -40.151 -117.985 107.132 104.093 2.02 104.264 -63.952 -78.846 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 86' ' ' TRP . 0.4 OUTLIER -156.4 140.01 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.207 -0.664 . . . . 1.23 109.207 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 86' ' ' TRP . 28.4 t -81.59 74.57 8.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.113 -0.992 . . . . 1.55 109.394 179.898 -169.873 62.318 69.022 104.152 2.02 104.059 105.218 -61.89 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.412 ' H ' HG22 ' A' ' 79' ' ' THR . 0.2 OUTLIER -55.83 -32.51 63.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 2.0899999999999999 109.908 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.513 ' HA2' ' HA2' ' A' ' 84' ' ' GLY . . . 54.28 96.13 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.485 -1.446 . . . . 2.5499999999999998 109.485 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 24.1 t-20 -141.45 53.71 1.53 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.156 -1.203 . . . . 3.3100000000000001 109.971 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.461 ' O ' ' HD2' ' A' ' 46' ' ' ARG . . . 116.91 -38.32 3.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.733 -1.223 . . . . 3.3300000000000001 110.185 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' CG ' ' C ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER -151.91 25.42 0.65 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.981 -1.305 . . . . 5.0499999999999998 109.896 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.513 ' HA2' ' HA2' ' A' ' 80' ' ' GLY . . . 66.71 73.03 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.305 -1.518 . . . . 2.7000000000000002 109.305 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.44 50.5 2.01 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.371 -1.076 . . . . 4.21 109.356 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.612 ' CD1' ' HB3' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -56.53 101.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.73 -0.841 . . . . 1.6299999999999999 108.73 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 76' ' ' CYS . 14.7 mtmt -87.79 172.14 9.88 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.518 -0.739 . . . . 3.7200000000000002 110.61 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.496 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 29.6 m -133.72 128.94 35.96 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.994 -0.743 . . . . 1.97 108.994 179.553 -78.846 -63.952 107.132 104.264 2.02 104.093 -117.985 -40.151 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 25.3 tt0 -120.83 108.56 14.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.0 . . . . 3.0600000000000001 109.682 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -50.19 174.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.388 -0.82 . . . . 5.1399999999999997 109.569 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.811 ' NE2' HD23 ' A' ' 73' ' ' LEU . 14.4 m170 -73.71 111.27 8.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.258 -0.901 . . . . 3.8399999999999999 108.772 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.33 66.62 3.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.207 -0.933 . . . . 4.5599999999999996 109.806 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 117.912 -1.042 . . . . 7.5 109.16 179.683 . . . . . . . . 0 0 . 1 stop_ save_