data_1v6r_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 1v6r _Structure_validation_residue.Date_analyzed 2016-10-07 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 core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.5 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -52.34 -57.35 10.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.952 . . . . 0.0 109.188 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.52 118.46 25.82 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.437 -0.79 . . . . 0.0 108.869 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.0 mp -58.73 -16.12 15.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.042 -1.037 . . . . 0.0 111.496 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 8' ' ' ASP . 3.4 ttm -86.28 -5.91 59.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.426 -1.421 . . . . 0.0 110.553 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.53 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 8.5 t0 -52.49 -174.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.905 -1.122 . . . . 0.0 109.549 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 6.6 mmpt? -109.2 -76.4 0.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -73.8 -32.91 63.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.612 -1.305 . . . . 0.0 109.278 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 19.9 t -65.92 -17.79 64.9 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.588 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.3 t -81.46 -35.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.152 0.501 . . . . 0.0 109.95 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 23.3 m-85 -61.92 -23.66 66.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.1 m-30 -67.48 -27.54 67.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 110.318 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.76 22.91 1.04 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.856 -1.152 . . . . 0.0 110.294 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.4 m-70 77.27 42.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.065 . . . . 0.0 109.987 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.588 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.5 mp -108.94 63.08 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 120.999 -1.063 . . . . 0.0 109.995 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.1 t70 39.49 72.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.446 -0.784 . . . . 0.0 110.001 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 pt -56.87 127.21 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.176 -0.953 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 21' ' ' TRP . 10.5 mm -115.14 78.56 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.858 -1.151 . . . . 0.0 109.74 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.583 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 4' ' ' SER . 6.6 t . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.506 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t -43.46 -57.88 2.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.38 117.09 26.05 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 108.992 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 6' ' ' LEU . 6.9 mp -60.33 -15.45 25.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.064 -1.022 . . . . 0.0 111.659 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.467 ' O ' ' O ' ' A' ' 8' ' ' ASP . 4.1 ttm -87.57 -5.12 58.9 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.382 -1.449 . . . . 0.0 110.583 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 4.6 t70 -51.83 -175.1 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.908 -1.12 . . . . 0.0 109.498 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.04 -75.88 0.62 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.285 -0.884 . . . . 0.0 109.865 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -74.04 -32.65 63.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.579 -1.326 . . . . 0.0 109.404 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 8.5 t -66.49 -18.39 65.33 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.535 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.9 t -81.99 -35.96 13.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 10' ' ' GLU . 18.8 m-30 -53.35 -23.85 10.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.118 -0.988 . . . . 0.0 110.074 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m-30 -66.03 -30.93 71.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.251 -0.905 . . . . 0.0 110.433 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.39 25.01 0.64 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.948 -1.095 . . . . 0.0 110.529 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.55 40.76 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.943 -1.098 . . . . 0.0 109.834 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.9 mm? -108.04 63.51 0.62 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.012 -1.055 . . . . 0.0 110.015 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.1 p-10 38.9 74.71 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.57 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.6 pt -61.18 127.2 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 109.388 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.8 mm -116.1 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.124 . . . . 0.0 109.674 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.4 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -57.99 -56.89 16.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 109.108 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.64 119.57 23.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' HG21 ' A' ' 12' ' ' VAL . 6.9 mp -58.01 -14.74 7.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 111.507 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.5 ttt -86.53 -5.92 59.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.413 -1.429 . . . . 0.0 110.688 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.522 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 12.8 t0 -56.96 -171.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.788 -1.195 . . . . 0.0 109.697 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 6.8 mmpt? -110.48 -75.93 0.61 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 109.823 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.1 mt-10 -73.89 -32.92 63.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.502 -1.373 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.583 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 38.0 t -66.02 -19.17 65.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.585 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.4 t -78.67 -33.63 16.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.63 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 21.9 m-85 -61.68 -30.3 70.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.198 -0.939 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.7 m-30 -63.11 -25.53 68.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 110.08 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 60.2 m -81.84 17.55 1.49 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.112 -0.993 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 18.3 m-70 79.97 41.27 0.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.203 -0.936 . . . . 0.0 110.073 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.585 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 5.9 mp -109.57 63.56 0.6 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.878 -1.139 . . . . 0.0 110.059 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t0 39.79 72.89 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.934 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 5.5 pt -56.15 127.66 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.994 -1.066 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' O ' HG21 ' A' ' 20' ' ' ILE . 10.6 mm -115.49 78.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.606 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t -57.88 -57.02 14.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.06 -1.025 . . . . 0.0 109.078 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.83 119.46 16.04 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.1 mp -55.25 -15.6 2.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.01 -1.056 . . . . 0.0 111.466 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 7' ' ' MET . 6.2 ttp -85.8 -6.29 59.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.569 -1.332 . . . . 0.0 110.631 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.47 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.4 t70 -59.02 -152.57 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.615 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.8 mmmt -130.38 -76.59 0.53 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.29 -31.23 67.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.607 -1.308 . . . . 0.0 109.123 179.635 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.9 t -74.47 -11.64 60.28 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.54 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 13.7 t -81.51 -33.85 12.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.825 -0.547 . . . . 0.0 109.958 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 17.6 m-85 -51.15 -25.4 5.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.014 -1.054 . . . . 0.0 110.245 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -64.47 -30.25 71.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.0 110.423 -179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.42 23.29 0.77 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.116 -0.99 . . . . 0.0 110.442 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 7.6 m-70 77.48 40.54 0.16 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.87 -1.144 . . . . 0.0 109.931 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.85 63.45 0.62 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.066 -1.021 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.1 t70 39.94 75.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.79 . . . . 0.0 110.105 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -61.06 127.3 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.987 -1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.0 mm -115.76 78.82 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.948 -1.095 . . . . 0.0 109.764 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.549 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.2 t . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -59.37 -57.15 14.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.154 -0.966 . . . . 0.0 109.106 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.99 119.62 18.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.456 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.9 mp -56.24 -15.2 3.51 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.027 -1.046 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.462 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.0 ttt -86.19 -6.14 59.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.498 -1.376 . . . . 0.0 110.571 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.8 t0 -58.7 -158.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.851 -1.156 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' NZ ' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -121.37 -76.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.31 -0.868 . . . . 0.0 110.037 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.25 -31.37 64.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.368 -1.457 . . . . 0.0 109.088 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.8 t -66.76 -19.63 65.79 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.594 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.6 t -78.08 -32.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-O 121.277 0.56 . . . . 0.0 109.633 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 19' ' ' ILE . 11.5 m-30 -59.6 -23.02 62.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.293 -0.879 . . . . 0.0 109.855 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.7 m-30 -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 110.666 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -81.74 25.47 0.54 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.793 -1.192 . . . . 0.0 110.601 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.21 39.55 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.861 -1.149 . . . . 0.0 109.946 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.594 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.2 mp -109.29 64.85 0.61 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.098 -1.001 . . . . 0.0 109.687 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.7 t70 41.98 78.07 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.48 -0.763 . . . . 0.0 109.831 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 1.4 pt -66.03 60.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.105 -0.997 . . . . 0.0 109.934 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' ASP . 6.6 tp -79.06 64.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.935 -1.103 . . . . 0.0 110.087 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 O-C-N 120.838 -1.164 . . . . 0.0 109.584 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 t -57.93 -57.17 13.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.042 -1.037 . . . . 0.0 108.999 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.5 119.56 17.57 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.77 -14.93 2.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.027 -1.046 . . . . 0.0 111.52 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.468 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.5 ttp -86.49 -5.85 59.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.494 -1.379 . . . . 0.0 110.713 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.463 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 8.6 t0 -59.17 -151.9 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.833 -1.167 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -130.9 -76.73 0.53 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.392 -0.817 . . . . 0.0 109.638 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -71.05 -31.1 67.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.645 -1.284 . . . . 0.0 109.044 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.1 t -75.18 -12.45 60.3 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.548 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 20.7 t -80.38 -31.6 13.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.833 -0.542 . . . . 0.0 110.057 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 14.0 m-30 -50.63 -24.95 3.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.093 -1.004 . . . . 0.0 110.022 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.8 m-85 -63.25 -30.62 71.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.82 22.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.044 -1.035 . . . . 0.0 110.252 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER 78.58 41.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.129 -0.982 . . . . 0.0 110.016 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.548 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.48 63.76 0.61 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.97 -1.082 . . . . 0.0 110.232 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' LEU . 9.7 t70 40.66 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.581 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -63.74 127.6 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.412 HG12 ' OD2' ' A' ' 18' ' ' ASP . 11.3 mm -116.56 79.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.886 -1.134 . . . . 0.0 109.706 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.629 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.567 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.1 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.514 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -58.23 -56.91 16.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.12 119.22 18.61 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 6' ' ' LEU . 6.8 mp -57.09 -14.72 4.14 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.05 -1.031 . . . . 0.0 111.632 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 7' ' ' MET . 47.6 ttm -86.16 -5.33 59.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.488 -1.383 . . . . 0.0 110.788 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.522 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 9.2 t0 -62.81 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 109.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 4.3 mmpt? -116.8 -74.47 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 109.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.8 mt-10 -71.87 -33.2 68.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.658 -1.276 . . . . 0.0 110.046 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.578 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 46.8 t -72.2 -10.78 60.23 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.533 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 6.4 t -82.96 -35.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.797 -0.564 . . . . 0.0 109.972 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 15.3 m-30 -50.13 -26.03 4.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.985 -1.072 . . . . 0.0 110.3 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.71 -30.09 71.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.193 -0.942 . . . . 0.0 110.374 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.7 22.8 0.86 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER 77.83 40.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.971 -1.08 . . . . 0.0 109.934 179.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.08 63.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.014 -1.054 . . . . 0.0 110.083 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.2 t0 40.3 76.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 110.073 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 pt -61.51 127.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.015 -1.053 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' TRP . 11.0 mm -116.09 78.84 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.935 -1.103 . . . . 0.0 109.765 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.545 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.7 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -60.07 -56.99 14.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.123 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.31 119.85 18.12 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.9 mp -56.97 -14.18 3.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.127 -0.983 . . . . 0.0 111.672 -178.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 7.4 ttp -85.42 -6.77 59.19 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.545 -1.347 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.525 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 2.0 t70 -62.74 -163.35 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.742 -1.224 . . . . 0.0 109.484 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 3.9 mmpt? -117.83 -74.35 0.61 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.307 -0.87 . . . . 0.0 109.939 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.564 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 20.0 mt-10 -71.61 -32.96 68.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.585 -1.322 . . . . 0.0 110.033 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.2 t -72.26 -11.89 60.91 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.54 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 7.9 t -81.65 -33.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.781 -0.574 . . . . 0.0 109.997 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 16.4 m-30 -50.26 -24.68 3.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.021 -1.049 . . . . 0.0 110.053 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.86 -30.62 71.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 110.341 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.71 22.91 0.85 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.06 -1.025 . . . . 0.0 110.267 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 29.0 t60 78.59 40.82 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.027 -1.046 . . . . 0.0 110.075 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.54 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.29 63.61 0.61 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.032 -1.042 . . . . 0.0 110.118 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.4 t0 40.57 77.63 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 110.036 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -63.52 127.48 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.069 . . . . 0.0 109.35 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' A' ' 21' ' ' TRP . 10.5 mm -116.53 80.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 109.768 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.838 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 15.4 t -50.76 -50.26 56.18 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.05 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.86 116.16 22.48 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.18 -15.88 28.04 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.055 -1.028 . . . . 0.0 111.719 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.53 ' O ' ' CG ' ' A' ' 7' ' ' MET . 1.5 ttp -102.28 29.13 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.846 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 5.3 t0 -80.16 -167.53 1.34 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.518 -1.364 . . . . 0.0 109.189 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 5.7 mmpt? -105.84 -76.85 0.6 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.9 mt-10 -77.77 -32.3 52.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.537 -1.352 . . . . 0.0 109.584 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.583 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.6 t -66.08 -17.95 65.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.583 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.5 t -81.3 -35.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.157 0.503 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 21.8 m-85 -61.01 -23.96 65.8 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.106 -0.996 . . . . 0.0 109.601 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.2 m-30 -66.59 -28.34 68.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 110.259 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.33 23.23 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.129 . . . . 0.0 110.32 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.5 42.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.031 -1.043 . . . . 0.0 110.026 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.583 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.82 63.59 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.944 -1.097 . . . . 0.0 109.958 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.1 t0 39.76 74.49 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.504 -0.747 . . . . 0.0 109.978 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 pt -59.31 127.54 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.038 -1.039 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 10.8 mm -115.75 78.73 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.739 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.583 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.1 t . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 17.0 t -44.23 -52.68 7.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 0.0 109.156 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.26 117.01 19.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 108.936 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.99 -14.66 17.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.047 -1.033 . . . . 0.0 111.611 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 7' ' ' MET . 10.4 ttt -88.22 -3.68 58.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.415 -1.428 . . . . 0.0 110.686 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.3 t0 -55.45 -165.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.937 -1.102 . . . . 0.0 109.427 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 3.2 mmmt -116.43 -77.65 0.57 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.186 -0.946 . . . . 0.0 109.919 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.4 mt-10 -72.62 -31.79 65.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.485 -1.384 . . . . 0.0 109.207 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.0 t -67.23 -18.34 65.19 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 5.4 t -80.78 -34.86 14.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.183 0.516 . . . . 0.0 109.85 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 21.7 m-85 -60.98 -22.61 64.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.1 m-30 -67.34 -28.58 68.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 110.202 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.85 23.32 0.83 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.791 -1.193 . . . . 0.0 110.324 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 76.99 41.99 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.103 . . . . 0.0 109.72 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.581 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.08 63.42 0.6 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.003 -1.06 . . . . 0.0 109.943 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 13.0 t70 39.78 75.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.47 -0.769 . . . . 0.0 110.061 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 4.3 pt -59.96 127.46 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.045 -1.035 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.407 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 10.9 mm -115.81 78.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.924 -1.11 . . . . 0.0 109.738 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.613 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t -59.97 -57.11 14.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -0.929 . . . . 0.0 109.084 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.48 119.84 17.92 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.9 mp -56.83 -14.35 3.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.042 -1.036 . . . . 0.0 111.564 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.56 -6.74 59.14 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.61 -1.306 . . . . 0.0 110.714 -179.147 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.47 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 5.1 t0 -62.45 -159.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.735 -1.228 . . . . 0.0 109.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.493 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.1 mmmt -121.76 -75.61 0.59 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.851 . . . . 0.0 109.836 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 16.5 mt-10 -70.48 -32.32 69.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.674 -1.266 . . . . 0.0 109.915 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 50.2 t -73.51 -12.39 60.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.534 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 14.3 t -81.15 -32.56 12.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.824 -0.548 . . . . 0.0 110.008 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 17.1 m-30 -51.0 -24.29 3.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.023 -1.048 . . . . 0.0 109.968 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.3 m-30 -64.09 -30.75 71.8 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 110.279 -179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.64 23.09 0.82 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.078 . . . . 0.0 110.28 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER 78.64 40.69 0.11 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 0.0 110.032 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.09 63.94 0.62 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.01 -1.056 . . . . 0.0 110.114 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 6.8 p-10 39.9 77.0 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.302 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 pt -62.8 127.41 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.971 -1.081 . . . . 0.0 109.397 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.2 mm -116.18 78.93 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.988 -1.07 . . . . 0.0 109.752 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.626 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.597 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 t -57.7 -57.06 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.074 -1.017 . . . . 0.0 109.073 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.13 118.77 20.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' HG21 ' A' ' 12' ' ' VAL . 7.0 mp -56.1 -15.21 3.33 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.016 -1.053 . . . . 0.0 111.546 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 8' ' ' ASP . 54.5 ttm -87.77 -4.63 58.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.534 -1.354 . . . . 0.0 110.691 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.513 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 9.9 t0 -57.92 -159.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.89 -1.131 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -123.49 -76.14 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.332 -0.855 . . . . 0.0 109.502 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -72.12 -30.74 65.36 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.627 -1.296 . . . . 0.0 108.998 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.578 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.5 t -72.81 -13.09 61.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.539 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 12.1 t -81.73 -34.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.766 -0.584 . . . . 0.0 110.04 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 15.7 m-30 -50.79 -25.83 4.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.952 -1.093 . . . . 0.0 110.232 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -63.86 -30.18 71.29 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 110.43 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.53 22.85 0.82 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.975 -1.078 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.1 t-80 77.64 40.71 0.15 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 109.934 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.9 63.29 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.0 -1.063 . . . . 0.0 110.111 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.22 76.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.462 -0.774 . . . . 0.0 109.981 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.582 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -61.14 127.25 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.984 -1.072 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.403 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.0 mm -116.21 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.953 -1.092 . . . . 0.0 109.792 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.517 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -58.26 -57.09 14.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.121 -0.987 . . . . 0.0 109.015 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.1 119.41 17.81 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' O ' HG21 ' A' ' 12' ' ' VAL . 6.8 mp -56.89 -14.65 3.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.02 -1.05 . . . . 0.0 111.576 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.5 ttp -85.79 -6.56 59.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.517 -1.364 . . . . 0.0 110.736 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.469 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 3.4 t70 -61.04 -159.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.865 -1.147 . . . . 0.0 109.487 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.3 mmmm -121.97 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.339 -0.85 . . . . 0.0 109.813 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 8.9 mt-10 -70.54 -32.41 69.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.609 -1.307 . . . . 0.0 109.824 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 45.3 t -73.55 -11.4 60.43 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.54 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 16.8 t -82.76 -32.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.711 -0.618 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 14.7 m-30 -50.54 -24.95 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.971 -1.081 . . . . 0.0 109.995 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.0 m-30 -63.23 -30.59 71.71 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.201 -0.937 . . . . 0.0 110.126 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.74 22.59 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.036 -1.04 . . . . 0.0 110.256 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.2 t60 78.39 41.03 0.12 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.159 -0.963 . . . . 0.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.54 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.2 63.52 0.61 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.52 77.72 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.431 -0.793 . . . . 0.0 110.101 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -63.14 127.47 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.068 -1.02 . . . . 0.0 109.317 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.432 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.2 mm -116.41 78.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.986 -1.071 . . . . 0.0 109.747 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.633 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.606 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.522 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.5 t -57.89 -57.09 14.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.082 -1.011 . . . . 0.0 109.028 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.14 119.03 21.33 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.8 mp -57.45 -15.02 5.71 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.018 -1.051 . . . . 0.0 111.525 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 8' ' ' ASP . 28.2 ttt -87.2 -4.66 59.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.495 -1.378 . . . . 0.0 110.683 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 7' ' ' MET . 3.7 t0 -57.69 -159.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.828 -1.17 . . . . 0.0 109.528 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 14.4 mmmt -120.07 -77.68 0.58 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -0.904 . . . . 0.0 109.799 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.9 mt-10 -73.68 -31.24 63.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.412 -1.43 . . . . 0.0 109.043 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t -66.53 -19.9 65.89 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.588 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 3.8 t -76.96 -33.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 21.4 m-85 -61.52 -29.89 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.18 -0.95 . . . . 0.0 109.477 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 m-30 -63.76 -25.39 68.17 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.421 -0.799 . . . . 0.0 110.023 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 45.7 m -81.87 17.7 1.47 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.041 -1.037 . . . . 0.0 110.199 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 8.8 t-160 79.82 41.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.137 -0.977 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.588 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 5.7 mp -109.05 63.56 0.6 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.056 -1.027 . . . . 0.0 110.04 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 6.7 p-10 39.51 72.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.594 -0.691 . . . . 0.0 110.066 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 pt -55.48 127.62 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.004 -1.06 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.407 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 10.6 mm -115.44 78.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.825 -1.172 . . . . 0.0 109.703 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.561 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 2.5 t . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -57.71 -57.26 13.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.144 -0.972 . . . . 0.0 109.037 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.34 16.4 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.9 mp -55.68 -15.0 2.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.038 -1.039 . . . . 0.0 111.556 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.456 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -85.56 -6.54 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.497 -1.377 . . . . 0.0 110.66 -179.26 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.5 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 9.6 t0 -61.55 -166.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.739 -1.225 . . . . 0.0 109.575 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 5.1 mmpt? -114.54 -74.26 0.62 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -0.831 . . . . 0.0 109.768 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.99 -33.73 68.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.573 -1.329 . . . . 0.0 109.886 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.1 t -71.51 -8.68 55.47 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.585 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.4 t -86.04 -35.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.719 -0.613 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 20.6 m-85 -57.6 -24.17 54.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.999 -1.063 . . . . 0.0 109.991 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -64.99 -28.24 69.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 110.035 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.99 21.99 0.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.092 . . . . 0.0 110.302 179.711 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.72 41.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.078 -1.014 . . . . 0.0 109.924 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.585 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.4 mp -108.92 63.79 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 O-C-N 121.021 -1.049 . . . . 0.0 109.991 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.0 t0 40.37 76.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.469 -0.77 . . . . 0.0 110.079 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 4.1 pt -60.95 127.36 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 109.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.9 mm -115.78 78.77 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.847 -1.158 . . . . 0.0 109.762 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.603 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.6 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -59.52 -57.07 14.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 119.71 18.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.9 mp -56.92 -14.67 3.74 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.972 -1.08 . . . . 0.0 111.529 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.8 ttm -85.7 -6.6 59.11 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.519 -1.363 . . . . 0.0 110.714 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 12.1 t0 -61.42 -160.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.849 -1.157 . . . . 0.0 109.56 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 mmmt -121.06 -75.73 0.59 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 109.795 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 9.4 mt-10 -70.24 -32.44 70.3 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.632 -1.292 . . . . 0.0 109.872 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 43.8 t -73.31 -11.59 60.55 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.535 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 17.6 t -83.45 -32.86 9.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.81 -0.556 . . . . 0.0 110.188 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 13.0 m-30 -50.86 -25.53 4.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 0.0 110.114 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.1 m-30 -63.3 -30.11 71.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.172 -0.955 . . . . 0.0 110.296 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.57 22.12 0.91 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.052 -1.03 . . . . 0.0 110.214 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 m-70 78.08 41.01 0.13 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.881 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.7 mm? -107.9 63.62 0.62 Allowed 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.998 -1.064 . . . . 0.0 110.071 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 40.02 76.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.476 -0.765 . . . . 0.0 110.14 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.6 pt -60.73 127.1 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 120.983 -1.073 . . . . 0.0 109.313 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -116.05 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.993 -1.067 . . . . 0.0 109.81 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.618 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t -57.35 -57.04 14.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 109.086 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.11 119.61 14.91 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.56 -14.98 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.993 -1.067 . . . . 0.0 111.349 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' ASP . 7.6 tpt -83.45 -9.22 59.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.622 -1.299 . . . . 0.0 110.43 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 7' ' ' MET . 11.4 t0 -58.6 -153.64 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.138 . . . . 0.0 109.633 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 9.2 mmmt -129.69 -76.49 0.54 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.254 -0.904 . . . . 0.0 109.808 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.75 -31.09 67.79 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.679 -1.263 . . . . 0.0 109.076 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.5 t -74.47 -11.39 60.21 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.537 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 15.0 t -82.12 -33.75 11.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.77 -0.581 . . . . 0.0 110.143 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 15.3 m-30 -50.89 -25.36 4.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.02 -1.05 . . . . 0.0 110.155 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.3 m-85 -64.63 -30.13 71.14 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 110.46 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.49 22.86 0.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.076 -1.015 . . . . 0.0 110.392 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.8 t-80 77.41 40.75 0.16 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.67 63.24 0.62 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.952 -1.092 . . . . 0.0 110.1 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t70 39.92 75.36 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.464 -0.773 . . . . 0.0 109.959 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.6 pt -59.88 127.24 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.023 -1.048 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.472 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.0 mm -117.38 80.94 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.907 -1.121 . . . . 0.0 109.724 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.0 t . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -58.11 -57.1 14.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.151 -0.968 . . . . 0.0 109.116 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.08 119.51 15.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 6' ' ' LEU . 6.8 mp -56.07 -15.07 3.09 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.033 -1.042 . . . . 0.0 111.524 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.449 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.8 ttm -85.37 -6.66 59.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.534 -1.354 . . . . 0.0 110.589 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.5 t0 -62.25 -160.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.793 -1.192 . . . . 0.0 109.603 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.5 mmmt -120.65 -75.72 0.59 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.279 -0.888 . . . . 0.0 109.925 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 mt-10 -70.15 -32.79 70.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.567 -1.333 . . . . 0.0 110.065 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.1 t -74.13 -8.81 57.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.534 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 13.3 t -85.09 -35.84 10.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.797 -0.564 . . . . 0.0 110.249 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HA ' ' A' ' 10' ' ' GLU . 8.4 m-30 -52.87 -22.33 5.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.961 -1.087 . . . . 0.0 110.238 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.2 m-85 -69.1 -29.83 68.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 0.0 110.974 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -81.65 25.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.876 -1.14 . . . . 0.0 110.497 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER 77.45 39.64 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.968 -1.082 . . . . 0.0 109.951 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.8 mm? -106.08 64.37 0.68 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.047 -1.033 . . . . 0.0 109.757 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.9 p-10 39.83 74.61 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.466 -0.771 . . . . 0.0 110.267 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.545 ' CG2' ' HB3' ' A' ' 13' ' ' TYR . 1.3 pt -66.55 60.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' ASP . 6.7 tp -79.53 64.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 120.862 -1.149 . . . . 0.0 110.106 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 109.571 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 4' ' ' SER . 9.2 t . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.509 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -41.67 -55.62 2.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.302 -0.873 . . . . 0.0 109.403 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.34 114.44 24.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.98 -17.56 18.06 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.063 -1.023 . . . . 0.0 111.842 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' ASP . 5.2 ttt -87.32 -5.24 58.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.438 -1.414 . . . . 0.0 110.468 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.522 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 15.9 t0 -49.36 178.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.071 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 6.7 mmpt? -109.68 -76.09 0.62 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.464 -0.772 . . . . 0.0 109.656 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.7 mt-10 -73.66 -32.67 64.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.517 -1.364 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 14.7 t -66.5 -17.85 65.03 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.541 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 4.1 t -80.79 -37.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 10' ' ' GLU . 22.5 m-85 -59.52 -19.31 47.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 4.7 m-30 -71.67 -31.16 66.51 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 111.037 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.526 ' CB ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.27 26.98 0.43 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.75 -1.219 . . . . 0.0 110.676 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 76.99 40.67 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.786 -1.196 . . . . 0.0 109.505 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 3.1 mm? -106.31 62.44 0.65 Allowed 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 17.6 t0 37.85 73.81 0.09 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.613 -0.679 . . . . 0.0 110.327 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 13' ' ' TYR . 3.2 pt -66.21 127.6 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.015 -1.053 . . . . 0.0 109.311 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 21' ' ' TRP . 11.0 mm -117.13 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.903 -1.123 . . . . 0.0 109.817 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.833 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.511 ' SG ' ' N ' ' A' ' 4' ' ' SER . 8.3 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.511 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.3 t -63.5 -56.61 14.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 0.0 109.383 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 119.18 20.65 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -56.63 -15.24 4.09 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.923 -1.111 . . . . 0.0 111.577 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 7' ' ' MET . 7.7 ttt -87.78 -4.47 58.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.531 -1.355 . . . . 0.0 110.687 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.6 t70 -59.17 -153.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.861 -1.15 . . . . 0.0 109.498 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 10.2 mmmt -128.58 -76.65 0.56 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.396 -0.815 . . . . 0.0 109.493 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.54 -30.71 66.2 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.589 -1.319 . . . . 0.0 108.887 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.4 t -72.05 -15.63 62.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.533 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 15.4 t -79.74 -32.49 14.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.824 -0.547 . . . . 0.0 109.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 17.1 m-30 -51.2 -25.86 6.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 0.0 110.132 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.6 m-30 -63.1 -30.6 71.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.88 . . . . 0.0 110.281 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -81.86 23.11 0.7 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 t-160 77.94 40.03 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.958 -1.089 . . . . 0.0 109.952 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.7 mm? -107.73 63.8 0.62 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.108 -0.995 . . . . 0.0 110.007 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 39.73 76.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.472 -0.768 . . . . 0.0 110.212 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -62.47 127.45 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 120.914 -1.116 . . . . 0.0 109.318 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -116.11 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.961 -1.087 . . . . 0.0 109.748 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.53 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 14.0 t . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.346 0.593 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.43 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 p -177.35 98.47 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.294 -0.879 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.5 t -118.91 161.74 19.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.196 -0.94 . . . . 0.0 108.914 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -52.34 -57.35 10.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.952 . . . . 0.0 109.188 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.52 118.46 25.82 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.437 -0.79 . . . . 0.0 108.869 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.0 mp -58.73 -16.12 15.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.042 -1.037 . . . . 0.0 111.496 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 8' ' ' ASP . 3.4 ttm -86.28 -5.91 59.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.426 -1.421 . . . . 0.0 110.553 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.53 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 8.5 t0 -52.49 -174.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.905 -1.122 . . . . 0.0 109.549 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 6.6 mmpt? -109.2 -76.4 0.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -73.8 -32.91 63.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.612 -1.305 . . . . 0.0 109.278 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 19.9 t -65.92 -17.79 64.9 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.588 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.3 t -81.46 -35.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.152 0.501 . . . . 0.0 109.95 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 23.3 m-85 -61.92 -23.66 66.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.1 m-30 -67.48 -27.54 67.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 110.318 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.76 22.91 1.04 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.856 -1.152 . . . . 0.0 110.294 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.4 m-70 77.27 42.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.065 . . . . 0.0 109.987 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.588 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.5 mp -108.94 63.08 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 120.999 -1.063 . . . . 0.0 109.995 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.1 t70 39.49 72.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.446 -0.784 . . . . 0.0 110.001 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 pt -56.87 127.21 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.176 -0.953 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 21' ' ' TRP . 10.5 mm -115.14 78.56 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.858 -1.151 . . . . 0.0 109.74 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.583 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.94 100.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.973 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 4' ' ' SER . 6.6 t -114.33 161.49 17.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.909 . . . . 0.0 108.988 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.506 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t -43.46 -57.88 2.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.38 117.09 26.05 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 108.992 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 6' ' ' LEU . 6.9 mp -60.33 -15.45 25.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.064 -1.022 . . . . 0.0 111.659 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.467 ' O ' ' O ' ' A' ' 8' ' ' ASP . 4.1 ttm -87.57 -5.12 58.9 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.382 -1.449 . . . . 0.0 110.583 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 4.6 t70 -51.83 -175.1 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.908 -1.12 . . . . 0.0 109.498 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.04 -75.88 0.62 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.285 -0.884 . . . . 0.0 109.865 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -74.04 -32.65 63.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.579 -1.326 . . . . 0.0 109.404 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 8.5 t -66.49 -18.39 65.33 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.535 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.9 t -81.99 -35.96 13.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 10' ' ' GLU . 18.8 m-30 -53.35 -23.85 10.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.118 -0.988 . . . . 0.0 110.074 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m-30 -66.03 -30.93 71.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.251 -0.905 . . . . 0.0 110.433 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.39 25.01 0.64 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.948 -1.095 . . . . 0.0 110.529 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.55 40.76 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.943 -1.098 . . . . 0.0 109.834 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.9 mm? -108.04 63.51 0.62 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.012 -1.055 . . . . 0.0 110.015 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.1 p-10 38.9 74.71 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.57 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.6 pt -61.18 127.2 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 109.388 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.8 mm -116.1 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.124 . . . . 0.0 109.674 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.516 ' SG ' ' CD1' ' A' ' 6' ' ' LEU . 18.6 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -135.67 79.27 1.77 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.891 . . . . 0.0 109.622 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.4 t -139.92 161.64 37.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.002 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -57.99 -56.89 16.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 109.108 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.64 119.57 23.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' CD1' ' SG ' ' A' ' 1' ' ' CYS . 6.9 mp -58.01 -14.74 7.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 111.507 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.5 ttt -86.53 -5.92 59.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.413 -1.429 . . . . 0.0 110.688 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.522 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 12.8 t0 -56.96 -171.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.788 -1.195 . . . . 0.0 109.697 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 6.8 mmpt? -110.48 -75.93 0.61 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 109.823 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.1 mt-10 -73.89 -32.92 63.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.502 -1.373 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.583 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 38.0 t -66.02 -19.17 65.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.585 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.4 t -78.67 -33.63 16.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.63 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 21.9 m-85 -61.68 -30.3 70.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.198 -0.939 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.7 m-30 -63.11 -25.53 68.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 110.08 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 60.2 m -81.84 17.55 1.49 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.112 -0.993 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 18.3 m-70 79.97 41.27 0.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.203 -0.936 . . . . 0.0 110.073 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.585 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 5.9 mp -109.57 63.56 0.6 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.878 -1.139 . . . . 0.0 110.059 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t0 39.79 72.89 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.934 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 5.5 pt -56.15 127.66 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.994 -1.066 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' O ' HG21 ' A' ' 20' ' ' ILE . 10.6 mm -115.49 78.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.606 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -162.93 92.35 0.76 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.192 -0.943 . . . . 0.0 109.723 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t -140.36 161.61 37.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 0.0 108.84 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t -57.88 -57.02 14.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.06 -1.025 . . . . 0.0 109.078 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.83 119.46 16.04 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.1 mp -55.25 -15.6 2.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.01 -1.056 . . . . 0.0 111.466 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 7' ' ' MET . 6.2 ttp -85.8 -6.29 59.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.569 -1.332 . . . . 0.0 110.631 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.47 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.4 t70 -59.02 -152.57 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.615 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.8 mmmt -130.38 -76.59 0.53 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.29 -31.23 67.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.607 -1.308 . . . . 0.0 109.123 179.635 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.9 t -74.47 -11.64 60.28 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.54 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 13.7 t -81.51 -33.85 12.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.825 -0.547 . . . . 0.0 109.958 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 17.6 m-85 -51.15 -25.4 5.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.014 -1.054 . . . . 0.0 110.245 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -64.47 -30.25 71.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.0 110.423 -179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.42 23.29 0.77 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.116 -0.99 . . . . 0.0 110.442 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 7.6 m-70 77.48 40.54 0.16 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.87 -1.144 . . . . 0.0 109.931 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.85 63.45 0.62 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.066 -1.021 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.1 t70 39.94 75.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.79 . . . . 0.0 110.105 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -61.06 127.3 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.987 -1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.0 mm -115.76 78.82 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.948 -1.095 . . . . 0.0 109.764 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.549 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -165.81 93.81 0.56 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.213 -0.929 . . . . 0.0 109.696 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.2 t -134.24 161.37 35.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.338 -0.851 . . . . 0.0 108.909 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -59.37 -57.15 14.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.154 -0.966 . . . . 0.0 109.106 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.99 119.62 18.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.9 mp -56.24 -15.2 3.51 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.027 -1.046 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.462 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.0 ttt -86.19 -6.14 59.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.498 -1.376 . . . . 0.0 110.571 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.8 t0 -58.7 -158.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.851 -1.156 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' NZ ' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -121.37 -76.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.31 -0.868 . . . . 0.0 110.037 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.25 -31.37 64.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.368 -1.457 . . . . 0.0 109.088 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.8 t -66.76 -19.63 65.79 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.594 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.6 t -78.08 -32.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-O 121.277 0.56 . . . . 0.0 109.633 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' HA ' ' A' ' 19' ' ' ILE . 11.5 m-30 -59.6 -23.02 62.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.293 -0.879 . . . . 0.0 109.855 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.7 m-30 -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 110.666 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -81.74 25.47 0.54 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.793 -1.192 . . . . 0.0 110.601 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.21 39.55 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.861 -1.149 . . . . 0.0 109.946 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.594 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.2 mp -109.29 64.85 0.61 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.098 -1.001 . . . . 0.0 109.687 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.7 t70 41.98 78.07 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.48 -0.763 . . . . 0.0 109.831 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 1.4 pt -66.03 60.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.105 -0.997 . . . . 0.0 109.934 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' ASP . 6.6 tp -79.06 64.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.935 -1.103 . . . . 0.0 110.087 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 O-C-N 120.838 -1.164 . . . . 0.0 109.584 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.1 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.499 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 1.7 m 173.19 102.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.554 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -146.84 161.46 40.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 109.02 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 t -57.93 -57.17 13.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.042 -1.037 . . . . 0.0 108.999 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.5 119.56 17.57 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.77 -14.93 2.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.027 -1.046 . . . . 0.0 111.52 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.468 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.5 ttp -86.49 -5.85 59.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.494 -1.379 . . . . 0.0 110.713 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.463 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 8.6 t0 -59.17 -151.9 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.833 -1.167 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -130.9 -76.73 0.53 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.392 -0.817 . . . . 0.0 109.638 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -71.05 -31.1 67.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.645 -1.284 . . . . 0.0 109.044 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.1 t -75.18 -12.45 60.3 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.548 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 20.7 t -80.38 -31.6 13.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.833 -0.542 . . . . 0.0 110.057 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 14.0 m-30 -50.63 -24.95 3.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.093 -1.004 . . . . 0.0 110.022 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.8 m-85 -63.25 -30.62 71.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.82 22.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.044 -1.035 . . . . 0.0 110.252 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER 78.58 41.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.129 -0.982 . . . . 0.0 110.016 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.548 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.48 63.76 0.61 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.97 -1.082 . . . . 0.0 110.232 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' LEU . 9.7 t70 40.66 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.581 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -63.74 127.6 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.412 HG12 ' OD2' ' A' ' 18' ' ' ASP . 11.3 mm -116.56 79.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.886 -1.134 . . . . 0.0 109.706 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.629 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.567 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m -162.91 92.48 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.1 t -137.38 161.75 35.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.286 -0.884 . . . . 0.0 108.877 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.514 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -58.23 -56.91 16.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.12 119.22 18.61 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 6' ' ' LEU . 6.8 mp -57.09 -14.72 4.14 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.05 -1.031 . . . . 0.0 111.632 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 7' ' ' MET . 47.6 ttm -86.16 -5.33 59.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.488 -1.383 . . . . 0.0 110.788 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.522 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 9.2 t0 -62.81 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 109.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 4.3 mmpt? -116.8 -74.47 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 109.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.8 mt-10 -71.87 -33.2 68.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.658 -1.276 . . . . 0.0 110.046 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.578 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 46.8 t -72.2 -10.78 60.23 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 6.4 t -82.96 -35.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.797 -0.564 . . . . 0.0 109.972 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 15.3 m-30 -50.13 -26.03 4.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.985 -1.072 . . . . 0.0 110.3 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.71 -30.09 71.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.193 -0.942 . . . . 0.0 110.374 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.7 22.8 0.86 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER 77.83 40.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.971 -1.08 . . . . 0.0 109.934 179.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.08 63.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.014 -1.054 . . . . 0.0 110.083 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.2 t0 40.3 76.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 110.073 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 pt -61.51 127.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.015 -1.053 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' TRP . 11.0 mm -116.09 78.84 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.935 -1.103 . . . . 0.0 109.765 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.545 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.6 t . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.493 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER 174.47 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.309 -0.869 . . . . 0.0 109.51 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.7 t -145.16 161.23 40.0 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 0.0 109.048 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -60.07 -56.99 14.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.123 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.31 119.85 18.12 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.9 mp -56.97 -14.18 3.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.127 -0.983 . . . . 0.0 111.672 -178.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 7.4 ttp -85.42 -6.77 59.19 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.545 -1.347 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.525 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 2.0 t70 -62.74 -163.35 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.742 -1.224 . . . . 0.0 109.484 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 3.9 mmpt? -117.83 -74.35 0.61 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.307 -0.87 . . . . 0.0 109.939 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 20.0 mt-10 -71.61 -32.96 68.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.585 -1.322 . . . . 0.0 110.033 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.2 t -72.26 -11.89 60.91 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.54 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 7.9 t -81.65 -33.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.781 -0.574 . . . . 0.0 109.997 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 16.4 m-30 -50.26 -24.68 3.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.021 -1.049 . . . . 0.0 110.053 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.86 -30.62 71.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 110.341 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.71 22.91 0.85 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.06 -1.025 . . . . 0.0 110.267 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 29.0 t60 78.59 40.82 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.027 -1.046 . . . . 0.0 110.075 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.54 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.29 63.61 0.61 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.032 -1.042 . . . . 0.0 110.118 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.4 t0 40.57 77.63 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 110.036 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -63.52 127.48 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.069 . . . . 0.0 109.35 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' A' ' 21' ' ' TRP . 10.5 mm -116.53 80.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 109.768 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.838 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 19.5 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.326 0.584 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 172.24 102.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -119.93 161.51 20.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.165 -0.959 . . . . 0.0 108.91 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 15.4 t -50.76 -50.26 56.18 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.05 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.86 116.16 22.48 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.18 -15.88 28.04 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.055 -1.028 . . . . 0.0 111.719 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.53 ' O ' ' CG ' ' A' ' 7' ' ' MET . 1.5 ttp -102.28 29.13 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.846 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 5.3 t0 -80.16 -167.53 1.34 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.518 -1.364 . . . . 0.0 109.189 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 5.7 mmpt? -105.84 -76.85 0.6 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.9 mt-10 -77.77 -32.3 52.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.537 -1.352 . . . . 0.0 109.584 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.583 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.6 t -66.08 -17.95 65.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.583 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.5 t -81.3 -35.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.157 0.503 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 21.8 m-85 -61.01 -23.96 65.8 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.106 -0.996 . . . . 0.0 109.601 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.2 m-30 -66.59 -28.34 68.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 110.259 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.33 23.23 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.129 . . . . 0.0 110.32 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.5 42.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.031 -1.043 . . . . 0.0 110.026 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.583 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.82 63.59 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.944 -1.097 . . . . 0.0 109.958 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.1 t0 39.76 74.49 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.504 -0.747 . . . . 0.0 109.978 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 pt -59.31 127.54 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.038 -1.039 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 10.8 mm -115.75 78.73 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.739 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.583 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.53 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 19.0 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 1.7 t 163.87 120.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.33 -0.856 . . . . 0.0 109.601 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.1 t -113.3 161.57 17.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 108.767 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 17.0 t -44.23 -52.68 7.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 0.0 109.156 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.26 117.01 19.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 108.936 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.99 -14.66 17.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.047 -1.033 . . . . 0.0 111.611 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 7' ' ' MET . 10.4 ttt -88.22 -3.68 58.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.415 -1.428 . . . . 0.0 110.686 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.3 t0 -55.45 -165.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.937 -1.102 . . . . 0.0 109.427 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 3.2 mmmt -116.43 -77.65 0.57 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.186 -0.946 . . . . 0.0 109.919 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.4 mt-10 -72.62 -31.79 65.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.485 -1.384 . . . . 0.0 109.207 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.0 t -67.23 -18.34 65.19 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 5.4 t -80.78 -34.86 14.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.183 0.516 . . . . 0.0 109.85 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 21.7 m-85 -60.98 -22.61 64.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.1 m-30 -67.34 -28.58 68.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 110.202 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' HA ' ' CB ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -82.85 23.32 0.83 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.791 -1.193 . . . . 0.0 110.324 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 76.99 41.99 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.103 . . . . 0.0 109.72 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.08 63.42 0.6 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.003 -1.06 . . . . 0.0 109.943 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 13.0 t70 39.78 75.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.47 -0.769 . . . . 0.0 110.061 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 4.3 pt -59.96 127.46 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.045 -1.035 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.407 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 10.9 mm -115.81 78.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.924 -1.11 . . . . 0.0 109.738 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.613 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.4 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.499 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 11.3 p 174.11 101.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.354 -0.841 . . . . 0.0 109.606 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -145.89 161.16 40.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.211 -0.931 . . . . 0.0 109.095 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t -59.97 -57.11 14.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -0.929 . . . . 0.0 109.084 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.48 119.84 17.92 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.9 mp -56.83 -14.35 3.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.042 -1.036 . . . . 0.0 111.564 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.56 -6.74 59.14 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.61 -1.306 . . . . 0.0 110.714 -179.147 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.47 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 5.1 t0 -62.45 -159.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.735 -1.228 . . . . 0.0 109.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.1 mmmt -121.76 -75.61 0.59 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.851 . . . . 0.0 109.836 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 16.5 mt-10 -70.48 -32.32 69.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.674 -1.266 . . . . 0.0 109.915 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 50.2 t -73.51 -12.39 60.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 14.3 t -81.15 -32.56 12.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.824 -0.548 . . . . 0.0 110.008 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 17.1 m-30 -51.0 -24.29 3.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.023 -1.048 . . . . 0.0 109.968 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.3 m-30 -64.09 -30.75 71.8 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 110.279 -179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.64 23.09 0.82 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.078 . . . . 0.0 110.28 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER 78.64 40.69 0.11 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 0.0 110.032 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.09 63.94 0.62 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.01 -1.056 . . . . 0.0 110.114 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 6.8 p-10 39.9 77.0 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.302 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 pt -62.8 127.41 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.971 -1.081 . . . . 0.0 109.397 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.2 mm -116.18 78.93 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.988 -1.07 . . . . 0.0 109.752 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.626 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.597 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -164.53 93.33 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.648 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.7 t -137.72 161.72 35.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -0.932 . . . . 0.0 108.904 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 t -57.7 -57.06 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.074 -1.017 . . . . 0.0 109.073 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.13 118.77 20.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' HG21 ' A' ' 12' ' ' VAL . 7.0 mp -56.1 -15.21 3.33 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.016 -1.053 . . . . 0.0 111.546 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 8' ' ' ASP . 54.5 ttm -87.77 -4.63 58.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.534 -1.354 . . . . 0.0 110.691 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 9.9 t0 -57.92 -159.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.89 -1.131 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -123.49 -76.14 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.332 -0.855 . . . . 0.0 109.502 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -72.12 -30.74 65.36 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.627 -1.296 . . . . 0.0 108.998 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.578 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.5 t -72.81 -13.09 61.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 12.1 t -81.73 -34.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.766 -0.584 . . . . 0.0 110.04 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 15.7 m-30 -50.79 -25.83 4.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.952 -1.093 . . . . 0.0 110.232 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -63.86 -30.18 71.29 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 110.43 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.53 22.85 0.82 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.975 -1.078 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.1 t-80 77.64 40.71 0.15 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 109.934 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.9 63.29 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.0 -1.063 . . . . 0.0 110.111 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.22 76.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.462 -0.774 . . . . 0.0 109.981 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.582 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -61.14 127.25 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.984 -1.072 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.403 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.0 mm -116.21 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.953 -1.092 . . . . 0.0 109.792 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.517 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.4 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.505 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 1.9 m 173.9 102.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 0.0 109.538 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t -142.78 161.51 37.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.393 -0.817 . . . . 0.0 108.89 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -58.26 -57.09 14.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.121 -0.987 . . . . 0.0 109.015 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.1 119.41 17.81 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' O ' HG21 ' A' ' 12' ' ' VAL . 6.8 mp -56.89 -14.65 3.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.02 -1.05 . . . . 0.0 111.576 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.5 ttp -85.79 -6.56 59.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.517 -1.364 . . . . 0.0 110.736 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.469 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 3.4 t70 -61.04 -159.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.865 -1.147 . . . . 0.0 109.487 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.3 mmmm -121.97 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.339 -0.85 . . . . 0.0 109.813 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 8.9 mt-10 -70.54 -32.41 69.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.609 -1.307 . . . . 0.0 109.824 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 45.3 t -73.55 -11.4 60.43 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.54 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 16.8 t -82.76 -32.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.711 -0.618 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 14.7 m-30 -50.54 -24.95 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.971 -1.081 . . . . 0.0 109.995 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.0 m-30 -63.23 -30.59 71.71 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.201 -0.937 . . . . 0.0 110.126 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.74 22.59 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.036 -1.04 . . . . 0.0 110.256 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.2 t60 78.39 41.03 0.12 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.159 -0.963 . . . . 0.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.54 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 mm? -108.2 63.52 0.61 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.52 77.72 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.431 -0.793 . . . . 0.0 110.101 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -63.14 127.47 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.068 -1.02 . . . . 0.0 109.317 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.432 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.2 mm -116.41 78.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.986 -1.071 . . . . 0.0 109.747 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.633 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.606 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.512 ' SG ' ' CD1' ' A' ' 6' ' ' LEU . 17.8 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.8 80.91 1.82 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t -139.66 161.61 37.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 0.0 108.997 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.522 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.5 t -57.89 -57.09 14.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.082 -1.011 . . . . 0.0 109.028 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.14 119.03 21.33 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' CD1' ' SG ' ' A' ' 1' ' ' CYS . 6.8 mp -57.45 -15.02 5.71 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.018 -1.051 . . . . 0.0 111.525 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 8' ' ' ASP . 28.2 ttt -87.2 -4.66 59.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.495 -1.378 . . . . 0.0 110.683 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 7' ' ' MET . 3.7 t0 -57.69 -159.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.828 -1.17 . . . . 0.0 109.528 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 14.4 mmmt -120.07 -77.68 0.58 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -0.904 . . . . 0.0 109.799 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.9 mt-10 -73.68 -31.24 63.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.412 -1.43 . . . . 0.0 109.043 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t -66.53 -19.9 65.89 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.588 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 3.8 t -76.96 -33.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 21.4 m-85 -61.52 -29.89 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.18 -0.95 . . . . 0.0 109.477 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 m-30 -63.76 -25.39 68.17 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.421 -0.799 . . . . 0.0 110.023 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 45.7 m -81.87 17.7 1.47 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.041 -1.037 . . . . 0.0 110.199 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 8.8 t-160 79.82 41.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.137 -0.977 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.588 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 5.7 mp -109.05 63.56 0.6 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.056 -1.027 . . . . 0.0 110.04 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 6.7 p-10 39.51 72.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.594 -0.691 . . . . 0.0 110.066 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 pt -55.48 127.62 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.004 -1.06 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.407 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 10.6 mm -115.44 78.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.825 -1.172 . . . . 0.0 109.703 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.561 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.15 93.46 0.61 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 109.818 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 2.5 t -137.32 161.56 35.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.89 . . . . 0.0 108.759 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -57.71 -57.26 13.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.144 -0.972 . . . . 0.0 109.037 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.34 16.4 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.9 mp -55.68 -15.0 2.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.038 -1.039 . . . . 0.0 111.556 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.456 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -85.56 -6.54 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.497 -1.377 . . . . 0.0 110.66 -179.26 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.5 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 9.6 t0 -61.55 -166.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.739 -1.225 . . . . 0.0 109.575 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 5.1 mmpt? -114.54 -74.26 0.62 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -0.831 . . . . 0.0 109.768 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.99 -33.73 68.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.573 -1.329 . . . . 0.0 109.886 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.1 t -71.51 -8.68 55.47 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.585 ' CG1' ' CD2' ' A' ' 17' ' ' LEU . 4.4 t -86.04 -35.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.719 -0.613 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 20.6 m-85 -57.6 -24.17 54.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.999 -1.063 . . . . 0.0 109.991 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -64.99 -28.24 69.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 110.035 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.99 21.99 0.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.092 . . . . 0.0 110.302 179.711 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.72 41.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.078 -1.014 . . . . 0.0 109.924 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.585 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.4 mp -108.92 63.79 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 O-C-N 121.021 -1.049 . . . . 0.0 109.991 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.0 t0 40.37 76.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.469 -0.77 . . . . 0.0 110.079 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 4.1 pt -60.95 127.36 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 109.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.9 mm -115.78 78.77 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.847 -1.158 . . . . 0.0 109.762 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.603 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.8 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.43 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 26.3 p -177.34 98.66 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 0.0 109.52 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.6 t -137.31 161.29 36.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 108.983 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -59.52 -57.07 14.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 119.71 18.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.9 mp -56.92 -14.67 3.74 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.972 -1.08 . . . . 0.0 111.529 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.8 ttm -85.7 -6.6 59.11 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.519 -1.363 . . . . 0.0 110.714 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 12.1 t0 -61.42 -160.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.849 -1.157 . . . . 0.0 109.56 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 mmmt -121.06 -75.73 0.59 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 109.795 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 9.4 mt-10 -70.24 -32.44 70.3 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.632 -1.292 . . . . 0.0 109.872 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 43.8 t -73.31 -11.59 60.55 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.535 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 17.6 t -83.45 -32.86 9.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.81 -0.556 . . . . 0.0 110.188 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 13.0 m-30 -50.86 -25.53 4.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 0.0 110.114 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.1 m-30 -63.3 -30.11 71.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.172 -0.955 . . . . 0.0 110.296 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.57 22.12 0.91 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.052 -1.03 . . . . 0.0 110.214 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 m-70 78.08 41.01 0.13 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.881 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.7 mm? -107.9 63.62 0.62 Allowed 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.998 -1.064 . . . . 0.0 110.071 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 40.02 76.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.476 -0.765 . . . . 0.0 110.14 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.6 pt -60.73 127.1 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 120.983 -1.073 . . . . 0.0 109.313 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -116.05 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.993 -1.067 . . . . 0.0 109.81 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.618 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 91.33 0.92 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.292 -0.88 . . . . 0.0 109.692 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t -138.99 161.69 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 108.84 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t -57.35 -57.04 14.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 109.086 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.11 119.61 14.91 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.56 -14.98 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.993 -1.067 . . . . 0.0 111.349 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' ASP . 7.6 tpt -83.45 -9.22 59.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.622 -1.299 . . . . 0.0 110.43 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 7' ' ' MET . 11.4 t0 -58.6 -153.64 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.138 . . . . 0.0 109.633 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 9.2 mmmt -129.69 -76.49 0.54 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.254 -0.904 . . . . 0.0 109.808 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.75 -31.09 67.79 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.679 -1.263 . . . . 0.0 109.076 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.5 t -74.47 -11.39 60.21 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.537 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 15.0 t -82.12 -33.75 11.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.77 -0.581 . . . . 0.0 110.143 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 15.3 m-30 -50.89 -25.36 4.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.02 -1.05 . . . . 0.0 110.155 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.3 m-85 -64.63 -30.13 71.14 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 110.46 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -82.49 22.86 0.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.076 -1.015 . . . . 0.0 110.392 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.8 t-80 77.41 40.75 0.16 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.67 63.24 0.62 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.952 -1.092 . . . . 0.0 110.1 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t70 39.92 75.36 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.464 -0.773 . . . . 0.0 109.959 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.6 pt -59.88 127.24 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.023 -1.048 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.472 ' O ' ' OXT' ' A' ' 21' ' ' TRP . 11.0 mm -117.38 80.94 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.907 -1.121 . . . . 0.0 109.724 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.15 91.86 0.81 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.0 t -134.19 161.64 34.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 0.0 108.774 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -58.11 -57.1 14.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.151 -0.968 . . . . 0.0 109.116 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.08 119.51 15.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 6' ' ' LEU . 6.8 mp -56.07 -15.07 3.09 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.033 -1.042 . . . . 0.0 111.524 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.449 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.8 ttm -85.37 -6.66 59.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.534 -1.354 . . . . 0.0 110.589 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.5 t0 -62.25 -160.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.793 -1.192 . . . . 0.0 109.603 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.5 mmmt -120.65 -75.72 0.59 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.279 -0.888 . . . . 0.0 109.925 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 mt-10 -70.15 -32.79 70.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.567 -1.333 . . . . 0.0 110.065 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.1 t -74.13 -8.81 57.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 13.3 t -85.09 -35.84 10.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.797 -0.564 . . . . 0.0 110.249 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HA ' ' A' ' 10' ' ' GLU . 8.4 m-30 -52.87 -22.33 5.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.961 -1.087 . . . . 0.0 110.238 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.2 m-85 -69.1 -29.83 68.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 0.0 110.974 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -81.65 25.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.876 -1.14 . . . . 0.0 110.497 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER 77.45 39.64 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.968 -1.082 . . . . 0.0 109.951 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 2.8 mm? -106.08 64.37 0.68 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.047 -1.033 . . . . 0.0 109.757 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.9 p-10 39.83 74.61 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.466 -0.771 . . . . 0.0 110.267 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.545 ' CG2' ' HB3' ' A' ' 13' ' ' TYR . 1.3 pt -66.55 60.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' ASP . 6.7 tp -79.53 64.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 120.862 -1.149 . . . . 0.0 110.106 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 109.571 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 19.8 p . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.507 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER 172.13 101.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 4' ' ' SER . 9.2 t -56.47 161.53 2.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.509 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -41.67 -55.62 2.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.302 -0.873 . . . . 0.0 109.403 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.34 114.44 24.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.98 -17.56 18.06 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.063 -1.023 . . . . 0.0 111.842 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' ASP . 5.2 ttt -87.32 -5.24 58.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.438 -1.414 . . . . 0.0 110.468 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.522 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 15.9 t0 -49.36 178.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.071 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 6.7 mmpt? -109.68 -76.09 0.62 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.464 -0.772 . . . . 0.0 109.656 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.7 mt-10 -73.66 -32.67 64.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.517 -1.364 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 14.7 t -66.5 -17.85 65.03 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.541 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 4.1 t -80.79 -37.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 10' ' ' GLU . 22.5 m-85 -59.52 -19.31 47.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 4.7 m-30 -71.67 -31.16 66.51 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 111.037 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.526 ' CB ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.27 26.98 0.43 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.75 -1.219 . . . . 0.0 110.676 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 76.99 40.67 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.786 -1.196 . . . . 0.0 109.505 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 3.1 mm? -106.31 62.44 0.65 Allowed 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 17.6 t0 37.85 73.81 0.09 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.613 -0.679 . . . . 0.0 110.327 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 13' ' ' TYR . 3.2 pt -66.21 127.6 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.015 -1.053 . . . . 0.0 109.311 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 21' ' ' TRP . 11.0 mm -117.13 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.903 -1.123 . . . . 0.0 109.817 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.833 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.523 ' CB ' HD13 ' A' ' 6' ' ' LEU . 6.8 t . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 60.75 1.05 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 109.948 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.511 ' SG ' ' N ' ' A' ' 4' ' ' SER . 8.3 t -153.72 160.49 42.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 109.429 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.511 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.3 t -63.5 -56.61 14.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 0.0 109.383 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 119.18 20.65 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.523 HD13 ' CB ' ' A' ' 1' ' ' CYS . 7.0 mp -56.63 -15.24 4.09 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.923 -1.111 . . . . 0.0 111.577 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 7' ' ' MET . 7.7 ttt -87.78 -4.47 58.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.531 -1.355 . . . . 0.0 110.687 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.6 t70 -59.17 -153.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.861 -1.15 . . . . 0.0 109.498 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 10.2 mmmt -128.58 -76.65 0.56 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.396 -0.815 . . . . 0.0 109.493 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.54 -30.71 66.2 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.589 -1.319 . . . . 0.0 108.887 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.4 t -72.05 -15.63 62.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' CG1' ' HG ' ' A' ' 17' ' ' LEU . 15.4 t -79.74 -32.49 14.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.824 -0.547 . . . . 0.0 109.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CG ' ' HA ' ' A' ' 19' ' ' ILE . 17.1 m-30 -51.2 -25.86 6.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 0.0 110.132 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.6 m-30 -63.1 -30.6 71.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.88 . . . . 0.0 110.281 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -81.86 23.11 0.7 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 t-160 77.94 40.03 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.958 -1.089 . . . . 0.0 109.952 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' HG ' ' CG1' ' A' ' 12' ' ' VAL . 2.7 mm? -107.73 63.8 0.62 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.108 -0.995 . . . . 0.0 110.007 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 39.73 76.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.472 -0.768 . . . . 0.0 110.212 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.579 ' HA ' ' CG ' ' A' ' 13' ' ' TYR . 3.8 pt -62.47 127.45 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 120.914 -1.116 . . . . 0.0 109.318 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -116.11 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.961 -1.087 . . . . 0.0 109.748 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.53 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.5 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -52.34 -57.35 10.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.952 . . . . 0.0 109.188 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.52 118.46 25.82 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.437 -0.79 . . . . 0.0 108.869 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -58.73 -16.12 15.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.042 -1.037 . . . . 0.0 111.496 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.4 ttm -86.28 -5.91 59.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.426 -1.421 . . . . 0.0 110.553 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.625 ' O ' HG21 ' A' ' 12' ' ' VAL . 8.5 t0 -52.49 -174.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.905 -1.122 . . . . 0.0 109.549 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.2 -76.4 0.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -73.8 -32.91 63.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.612 -1.305 . . . . 0.0 109.278 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 19.9 t -65.92 -17.79 64.9 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.132 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.3 t -81.46 -35.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.152 0.501 . . . . 0.0 109.95 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.711 ' HB3' HG22 ' A' ' 19' ' ' ILE . 23.3 m-85 -61.92 -23.66 66.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.1 m-30 -67.48 -27.54 67.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 110.318 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.76 22.91 1.04 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.856 -1.152 . . . . 0.0 110.294 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.4 m-70 77.27 42.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.065 . . . . 0.0 109.987 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.132 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.5 mp -108.94 63.08 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 120.999 -1.063 . . . . 0.0 109.995 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.1 t70 39.49 72.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.446 -0.784 . . . . 0.0 110.001 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.711 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.5 pt -56.87 127.21 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.176 -0.953 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.5 mm -115.14 78.56 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.858 -1.151 . . . . 0.0 109.74 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.583 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 4' ' ' SER . 6.6 t . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.506 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t -43.46 -57.88 2.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.38 117.09 26.05 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 108.992 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -60.33 -15.45 25.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.064 -1.022 . . . . 0.0 111.659 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' MET . 4.1 ttm -87.57 -5.12 58.9 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.382 -1.449 . . . . 0.0 110.583 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.634 ' O ' HG21 ' A' ' 12' ' ' VAL . 4.6 t70 -51.83 -175.1 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.908 -1.12 . . . . 0.0 109.498 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.04 -75.88 0.62 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.285 -0.884 . . . . 0.0 109.865 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -74.04 -32.65 63.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.579 -1.326 . . . . 0.0 109.404 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 8.5 t -66.49 -18.39 65.33 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.073 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.9 t -81.99 -35.96 13.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.722 ' HB3' HG22 ' A' ' 19' ' ' ILE . 18.8 m-30 -53.35 -23.85 10.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.118 -0.988 . . . . 0.0 110.074 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m-30 -66.03 -30.93 71.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.251 -0.905 . . . . 0.0 110.433 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.819 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.39 25.01 0.64 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.948 -1.095 . . . . 0.0 110.529 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.55 40.76 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.943 -1.098 . . . . 0.0 109.834 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.073 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.9 mm? -108.04 63.51 0.62 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.012 -1.055 . . . . 0.0 110.015 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.1 p-10 38.9 74.71 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.722 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -61.18 127.2 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 109.388 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.8 mm -116.1 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.124 . . . . 0.0 109.674 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.4 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -57.99 -56.89 16.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 109.108 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.64 119.57 23.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -58.01 -14.74 7.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 111.507 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.475 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.5 ttt -86.53 -5.92 59.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.413 -1.429 . . . . 0.0 110.688 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.622 ' O ' HG21 ' A' ' 12' ' ' VAL . 12.8 t0 -56.96 -171.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.788 -1.195 . . . . 0.0 109.697 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 6.8 mmpt? -110.48 -75.93 0.61 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 109.823 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.1 mt-10 -73.89 -32.92 63.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.502 -1.373 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 38.0 t -66.02 -19.17 65.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.125 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 t -78.67 -33.63 16.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.63 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.728 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.9 m-85 -61.68 -30.3 70.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.198 -0.939 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.7 m-30 -63.11 -25.53 68.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 110.08 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 60.2 m -81.84 17.55 1.49 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.112 -0.993 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 7.9 m80 79.97 41.27 0.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.203 -0.936 . . . . 0.0 110.073 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.125 HD22 ' CG1' ' A' ' 12' ' ' VAL . 5.9 mp -109.57 63.56 0.6 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.878 -1.139 . . . . 0.0 110.059 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t0 39.79 72.89 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.934 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.728 HG22 ' HB3' ' A' ' 13' ' ' TYR . 5.5 pt -56.15 127.66 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.994 -1.066 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.6 mm -115.49 78.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.606 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t -57.88 -57.02 14.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.06 -1.025 . . . . 0.0 109.078 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.83 119.46 16.04 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.543 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.1 mp -55.25 -15.6 2.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.01 -1.056 . . . . 0.0 111.466 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.482 ' O ' ' HG3' ' A' ' 7' ' ' MET . 6.2 ttp -85.8 -6.29 59.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.569 -1.332 . . . . 0.0 110.631 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.4 t70 -59.02 -152.57 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.615 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.8 mmmt -130.38 -76.59 0.53 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.29 -31.23 67.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.607 -1.308 . . . . 0.0 109.123 179.635 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.9 t -74.47 -11.64 60.28 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.081 ' O ' HD23 ' A' ' 17' ' ' LEU . 13.7 t -81.51 -33.85 12.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.825 -0.547 . . . . 0.0 109.958 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.744 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.6 m-85 -51.15 -25.4 5.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.014 -1.054 . . . . 0.0 110.245 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -64.47 -30.25 71.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.0 110.423 -179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.826 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.42 23.29 0.77 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.116 -0.99 . . . . 0.0 110.442 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 7.6 m-70 77.48 40.54 0.16 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.87 -1.144 . . . . 0.0 109.931 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.081 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.85 63.45 0.62 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.066 -1.021 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.1 t70 39.94 75.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.79 . . . . 0.0 110.105 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.744 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -61.06 127.3 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.987 -1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -115.76 78.82 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.948 -1.095 . . . . 0.0 109.764 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.549 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.2 t . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -59.37 -57.15 14.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.154 -0.966 . . . . 0.0 109.106 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.99 119.62 18.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.24 -15.2 3.51 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.027 -1.046 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.48 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.0 ttt -86.19 -6.14 59.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.498 -1.376 . . . . 0.0 110.571 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.8 t0 -58.7 -158.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.851 -1.156 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' NZ ' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -121.37 -76.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.31 -0.868 . . . . 0.0 110.037 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.25 -31.37 64.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.368 -1.457 . . . . 0.0 109.088 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.8 t -66.76 -19.63 65.79 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.119 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.6 t -78.08 -32.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-O 121.277 0.56 . . . . 0.0 109.633 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.877 ' HB3' HG22 ' A' ' 19' ' ' ILE . 11.5 m-30 -59.6 -23.02 62.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.293 -0.879 . . . . 0.0 109.855 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.7 m-30 -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 110.666 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -81.74 25.47 0.54 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.793 -1.192 . . . . 0.0 110.601 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.21 39.55 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.861 -1.149 . . . . 0.0 109.946 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.119 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.2 mp -109.29 64.85 0.61 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.098 -1.001 . . . . 0.0 109.687 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.7 t70 41.98 78.07 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.48 -0.763 . . . . 0.0 109.831 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.877 HG22 ' HB3' ' A' ' 13' ' ' TYR . 1.4 pt -66.03 60.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.105 -0.997 . . . . 0.0 109.934 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.641 HG23 ' O ' ' A' ' 20' ' ' ILE . 6.6 tp -79.06 64.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.935 -1.103 . . . . 0.0 110.087 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 O-C-N 120.838 -1.164 . . . . 0.0 109.584 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 t -57.93 -57.17 13.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.042 -1.037 . . . . 0.0 108.999 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.5 119.56 17.57 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.77 -14.93 2.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.027 -1.046 . . . . 0.0 111.52 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.484 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.5 ttp -86.49 -5.85 59.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.494 -1.379 . . . . 0.0 110.713 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 8.6 t0 -59.17 -151.9 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.833 -1.167 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -130.9 -76.73 0.53 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.392 -0.817 . . . . 0.0 109.638 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -71.05 -31.1 67.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.645 -1.284 . . . . 0.0 109.044 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.1 t -75.18 -12.45 60.3 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.045 ' O ' HD23 ' A' ' 17' ' ' LEU . 20.7 t -80.38 -31.6 13.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.833 -0.542 . . . . 0.0 110.057 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.777 ' HB3' HG22 ' A' ' 19' ' ' ILE . 14.0 m-30 -50.63 -24.95 3.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.093 -1.004 . . . . 0.0 110.022 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.8 m-85 -63.25 -30.62 71.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.868 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.82 22.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.044 -1.035 . . . . 0.0 110.252 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER 78.58 41.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.129 -0.982 . . . . 0.0 110.016 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.48 63.76 0.61 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.97 -1.082 . . . . 0.0 110.232 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' LEU . 9.7 t70 40.66 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.777 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.74 127.6 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.615 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.3 mm -116.56 79.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.886 -1.134 . . . . 0.0 109.706 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.629 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.567 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.1 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.514 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -58.23 -56.91 16.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.12 119.22 18.61 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -57.09 -14.72 4.14 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.05 -1.031 . . . . 0.0 111.632 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 7' ' ' MET . 47.6 ttm -86.16 -5.33 59.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.488 -1.383 . . . . 0.0 110.788 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.593 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.2 t0 -62.81 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 109.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 4.3 mmpt? -116.8 -74.47 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 109.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.8 mt-10 -71.87 -33.2 68.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.658 -1.276 . . . . 0.0 110.046 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 46.8 t -72.2 -10.78 60.23 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.058 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.4 t -82.96 -35.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.797 -0.564 . . . . 0.0 109.972 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.743 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.3 m-30 -50.13 -26.03 4.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.985 -1.072 . . . . 0.0 110.3 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.71 -30.09 71.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.193 -0.942 . . . . 0.0 110.374 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.819 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.7 22.8 0.86 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER 77.83 40.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.971 -1.08 . . . . 0.0 109.934 179.54 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.058 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.08 63.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.014 -1.054 . . . . 0.0 110.083 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.2 t0 40.3 76.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 110.073 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.743 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.7 pt -61.51 127.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.015 -1.053 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.616 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -116.09 78.84 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.935 -1.103 . . . . 0.0 109.765 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.545 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.7 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -60.07 -56.99 14.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.123 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.31 119.85 18.12 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.547 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.97 -14.18 3.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.127 -0.983 . . . . 0.0 111.672 -178.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' MET . 7.4 ttp -85.42 -6.77 59.19 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.545 -1.347 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.586 ' O ' HG21 ' A' ' 12' ' ' VAL . 2.0 t70 -62.74 -163.35 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.742 -1.224 . . . . 0.0 109.484 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 3.9 mmpt? -117.83 -74.35 0.61 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.307 -0.87 . . . . 0.0 109.939 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 20.0 mt-10 -71.61 -32.96 68.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.585 -1.322 . . . . 0.0 110.033 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.2 t -72.26 -11.89 60.91 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.048 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.9 t -81.65 -33.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.781 -0.574 . . . . 0.0 109.997 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.768 ' HB3' HG22 ' A' ' 19' ' ' ILE . 16.4 m-30 -50.26 -24.68 3.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.021 -1.049 . . . . 0.0 110.053 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.86 -30.62 71.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 110.341 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.87 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.71 22.91 0.85 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.06 -1.025 . . . . 0.0 110.267 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 29.0 t60 78.59 40.82 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.027 -1.046 . . . . 0.0 110.075 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.048 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.29 63.61 0.61 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.032 -1.042 . . . . 0.0 110.118 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.4 t0 40.57 77.63 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 110.036 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.52 127.48 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.069 . . . . 0.0 109.35 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.5 mm -116.53 80.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 109.768 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.838 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 15.4 t -50.76 -50.26 56.18 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.05 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.86 116.16 22.48 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.18 -15.88 28.04 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.055 -1.028 . . . . 0.0 111.719 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.53 ' O ' ' CG ' ' A' ' 7' ' ' MET . 1.5 ttp -102.28 29.13 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.846 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.602 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.3 t0 -80.16 -167.53 1.34 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.518 -1.364 . . . . 0.0 109.189 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 5.7 mmpt? -105.84 -76.85 0.6 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.9 mt-10 -77.77 -32.3 52.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.537 -1.352 . . . . 0.0 109.584 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.6 t -66.08 -17.95 65.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.123 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.5 t -81.3 -35.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.157 0.503 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.726 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.8 m-85 -61.01 -23.96 65.8 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.106 -0.996 . . . . 0.0 109.601 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.2 m-30 -66.59 -28.34 68.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 110.259 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.33 23.23 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.129 . . . . 0.0 110.32 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.5 42.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.031 -1.043 . . . . 0.0 110.026 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.123 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.82 63.59 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.944 -1.097 . . . . 0.0 109.958 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.1 t0 39.76 74.49 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.504 -0.747 . . . . 0.0 109.978 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.5 pt -59.31 127.54 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.038 -1.039 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.8 mm -115.75 78.73 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.739 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.583 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.1 t . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 17.0 t -44.23 -52.68 7.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 0.0 109.156 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.26 117.01 19.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 108.936 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -59.99 -14.66 17.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.047 -1.033 . . . . 0.0 111.611 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 7' ' ' MET . 10.4 ttt -88.22 -3.68 58.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.415 -1.428 . . . . 0.0 110.686 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.3 t0 -55.45 -165.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.937 -1.102 . . . . 0.0 109.427 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 3.2 mmmt -116.43 -77.65 0.57 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.186 -0.946 . . . . 0.0 109.919 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.4 mt-10 -72.62 -31.79 65.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.485 -1.384 . . . . 0.0 109.207 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.0 t -67.23 -18.34 65.19 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.118 ' CG1' HD22 ' A' ' 17' ' ' LEU . 5.4 t -80.78 -34.86 14.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.183 0.516 . . . . 0.0 109.85 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.716 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.7 m-85 -60.98 -22.61 64.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.1 m-30 -67.34 -28.58 68.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 110.202 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.85 23.32 0.83 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.791 -1.193 . . . . 0.0 110.324 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 76.99 41.99 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.103 . . . . 0.0 109.72 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.118 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.08 63.42 0.6 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.003 -1.06 . . . . 0.0 109.943 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 13.0 t70 39.78 75.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.47 -0.769 . . . . 0.0 110.061 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.716 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.3 pt -59.96 127.46 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.045 -1.035 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.9 mm -115.81 78.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.924 -1.11 . . . . 0.0 109.738 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.613 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t -59.97 -57.11 14.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -0.929 . . . . 0.0 109.084 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.48 119.84 17.92 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.83 -14.35 3.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.042 -1.036 . . . . 0.0 111.564 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.487 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.56 -6.74 59.14 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.61 -1.306 . . . . 0.0 110.714 -179.147 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.553 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.1 t0 -62.45 -159.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.735 -1.228 . . . . 0.0 109.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.1 mmmt -121.76 -75.61 0.59 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.851 . . . . 0.0 109.836 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 16.5 mt-10 -70.48 -32.32 69.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.674 -1.266 . . . . 0.0 109.915 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 50.2 t -73.51 -12.39 60.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.044 ' O ' HD23 ' A' ' 17' ' ' LEU . 14.3 t -81.15 -32.56 12.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.824 -0.548 . . . . 0.0 110.008 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.774 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.1 m-30 -51.0 -24.29 3.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.023 -1.048 . . . . 0.0 109.968 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.3 m-30 -64.09 -30.75 71.8 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 110.279 -179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.862 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.64 23.09 0.82 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.078 . . . . 0.0 110.28 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER 78.64 40.69 0.11 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 0.0 110.032 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.044 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.09 63.94 0.62 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.01 -1.056 . . . . 0.0 110.114 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 6.8 p-10 39.9 77.0 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.302 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.774 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.7 pt -62.8 127.41 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.971 -1.081 . . . . 0.0 109.397 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.616 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.2 mm -116.18 78.93 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.988 -1.07 . . . . 0.0 109.752 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.626 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.597 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 t -57.7 -57.06 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.074 -1.017 . . . . 0.0 109.073 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.13 118.77 20.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -56.1 -15.21 3.33 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.016 -1.053 . . . . 0.0 111.546 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 8' ' ' ASP . 54.5 ttm -87.77 -4.63 58.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.534 -1.354 . . . . 0.0 110.691 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.504 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 9.9 t0 -57.92 -159.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.89 -1.131 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -123.49 -76.14 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.332 -0.855 . . . . 0.0 109.502 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -72.12 -30.74 65.36 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.627 -1.296 . . . . 0.0 108.998 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.5 t -72.81 -13.09 61.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.072 ' O ' HD23 ' A' ' 17' ' ' LEU . 12.1 t -81.73 -34.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.766 -0.584 . . . . 0.0 110.04 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.737 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.7 m-30 -50.79 -25.83 4.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.952 -1.093 . . . . 0.0 110.232 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -63.86 -30.18 71.29 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 110.43 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.827 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.53 22.85 0.82 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.975 -1.078 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.1 t-80 77.64 40.71 0.15 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 109.934 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.072 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.9 63.29 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.0 -1.063 . . . . 0.0 110.111 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.22 76.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.462 -0.774 . . . . 0.0 109.981 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.737 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -61.14 127.25 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.984 -1.072 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -116.21 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.953 -1.092 . . . . 0.0 109.792 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.517 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -58.26 -57.09 14.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.121 -0.987 . . . . 0.0 109.015 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.1 119.41 17.81 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -56.89 -14.65 3.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.02 -1.05 . . . . 0.0 111.576 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.5 ttp -85.79 -6.56 59.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.517 -1.364 . . . . 0.0 110.736 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.56 ' O ' HG21 ' A' ' 12' ' ' VAL . 3.4 t70 -61.04 -159.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.865 -1.147 . . . . 0.0 109.487 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.3 mmmm -121.97 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.339 -0.85 . . . . 0.0 109.813 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.575 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 8.9 mt-10 -70.54 -32.41 69.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.609 -1.307 . . . . 0.0 109.824 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 45.3 t -73.55 -11.4 60.43 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.056 ' O ' HD23 ' A' ' 17' ' ' LEU . 16.8 t -82.76 -32.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.711 -0.618 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.768 ' HB3' HG22 ' A' ' 19' ' ' ILE . 14.7 m-30 -50.54 -24.95 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.971 -1.081 . . . . 0.0 109.995 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.0 m-30 -63.23 -30.59 71.71 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.201 -0.937 . . . . 0.0 110.126 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.867 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.74 22.59 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.036 -1.04 . . . . 0.0 110.256 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.2 t60 78.39 41.03 0.12 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.159 -0.963 . . . . 0.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.056 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.2 63.52 0.61 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.52 77.72 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.431 -0.793 . . . . 0.0 110.101 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.14 127.47 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.068 -1.02 . . . . 0.0 109.317 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.2 mm -116.41 78.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.986 -1.071 . . . . 0.0 109.747 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.633 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.606 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.522 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.5 t -57.89 -57.09 14.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.082 -1.011 . . . . 0.0 109.028 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.14 119.03 21.33 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -57.45 -15.02 5.71 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.018 -1.051 . . . . 0.0 111.525 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 8' ' ' ASP . 28.2 ttt -87.2 -4.66 59.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.495 -1.378 . . . . 0.0 110.683 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 7' ' ' MET . 3.7 t0 -57.69 -159.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.828 -1.17 . . . . 0.0 109.528 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 14.4 mmmt -120.07 -77.68 0.58 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -0.904 . . . . 0.0 109.799 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.9 mt-10 -73.68 -31.24 63.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.412 -1.43 . . . . 0.0 109.043 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t -66.53 -19.9 65.89 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.127 ' CG1' HD22 ' A' ' 17' ' ' LEU . 3.8 t -76.96 -33.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.735 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.4 m-85 -61.52 -29.89 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.18 -0.95 . . . . 0.0 109.477 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 m-30 -63.76 -25.39 68.17 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.421 -0.799 . . . . 0.0 110.023 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 45.7 m -81.87 17.7 1.47 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.041 -1.037 . . . . 0.0 110.199 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 8.8 t-160 79.82 41.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.137 -0.977 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.127 HD22 ' CG1' ' A' ' 12' ' ' VAL . 5.7 mp -109.05 63.56 0.6 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.056 -1.027 . . . . 0.0 110.04 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 6.7 p-10 39.51 72.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.594 -0.691 . . . . 0.0 110.066 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.735 HG22 ' HB3' ' A' ' 13' ' ' TYR . 5.4 pt -55.48 127.62 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.004 -1.06 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.6 mm -115.44 78.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.825 -1.172 . . . . 0.0 109.703 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.561 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 2.5 t . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -57.71 -57.26 13.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.144 -0.972 . . . . 0.0 109.037 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.34 16.4 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -55.68 -15.0 2.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.038 -1.039 . . . . 0.0 111.556 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -85.56 -6.54 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.497 -1.377 . . . . 0.0 110.66 -179.26 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.624 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.6 t0 -61.55 -166.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.739 -1.225 . . . . 0.0 109.575 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 5.1 mmpt? -114.54 -74.26 0.62 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -0.831 . . . . 0.0 109.768 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.99 -33.73 68.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.573 -1.329 . . . . 0.0 109.886 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.1 t -71.51 -8.68 55.47 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.119 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 t -86.04 -35.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.719 -0.613 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.749 ' HB3' HG22 ' A' ' 19' ' ' ILE . 20.6 m-85 -57.6 -24.17 54.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.999 -1.063 . . . . 0.0 109.991 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -64.99 -28.24 69.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 110.035 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.99 21.99 0.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.092 . . . . 0.0 110.302 179.711 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.72 41.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.078 -1.014 . . . . 0.0 109.924 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.119 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.4 mp -108.92 63.79 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 O-C-N 121.021 -1.049 . . . . 0.0 109.991 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.0 t0 40.37 76.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.469 -0.77 . . . . 0.0 110.079 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.749 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.1 pt -60.95 127.36 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 109.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.632 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.9 mm -115.78 78.77 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.847 -1.158 . . . . 0.0 109.762 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.603 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.6 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -59.52 -57.07 14.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 119.71 18.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.524 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.92 -14.67 3.74 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.972 -1.08 . . . . 0.0 111.529 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.481 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.8 ttm -85.7 -6.6 59.11 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.519 -1.363 . . . . 0.0 110.714 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.567 ' O ' HG21 ' A' ' 12' ' ' VAL . 12.1 t0 -61.42 -160.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.849 -1.157 . . . . 0.0 109.56 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 mmmt -121.06 -75.73 0.59 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 109.795 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 9.4 mt-10 -70.24 -32.44 70.3 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.632 -1.292 . . . . 0.0 109.872 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 43.8 t -73.31 -11.59 60.55 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.054 ' O ' HD23 ' A' ' 17' ' ' LEU . 17.6 t -83.45 -32.86 9.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.81 -0.556 . . . . 0.0 110.188 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.755 ' HB3' HG22 ' A' ' 19' ' ' ILE . 13.0 m-30 -50.86 -25.53 4.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 0.0 110.114 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.1 m-30 -63.3 -30.11 71.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.172 -0.955 . . . . 0.0 110.296 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.857 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.57 22.12 0.91 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.052 -1.03 . . . . 0.0 110.214 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 m-70 78.08 41.01 0.13 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.881 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.054 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.7 mm? -107.9 63.62 0.62 Allowed 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.998 -1.064 . . . . 0.0 110.071 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 40.02 76.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.476 -0.765 . . . . 0.0 110.14 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.755 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -60.73 127.1 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 120.983 -1.073 . . . . 0.0 109.313 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -116.05 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.993 -1.067 . . . . 0.0 109.81 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.618 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t -57.35 -57.04 14.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 109.086 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.11 119.61 14.91 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.56 -14.98 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.993 -1.067 . . . . 0.0 111.349 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' ASP . 7.6 tpt -83.45 -9.22 59.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.622 -1.299 . . . . 0.0 110.43 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 11.4 t0 -58.6 -153.64 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.138 . . . . 0.0 109.633 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 9.2 mmmt -129.69 -76.49 0.54 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.254 -0.904 . . . . 0.0 109.808 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.75 -31.09 67.79 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.679 -1.263 . . . . 0.0 109.076 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.5 t -74.47 -11.39 60.21 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.073 ' O ' HD23 ' A' ' 17' ' ' LEU . 15.0 t -82.12 -33.75 11.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.77 -0.581 . . . . 0.0 110.143 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.732 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.3 m-30 -50.89 -25.36 4.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.02 -1.05 . . . . 0.0 110.155 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.3 m-85 -64.63 -30.13 71.14 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 110.46 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.829 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.49 22.86 0.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.076 -1.015 . . . . 0.0 110.392 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.8 t-80 77.41 40.75 0.16 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.073 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.67 63.24 0.62 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.952 -1.092 . . . . 0.0 110.1 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t70 39.92 75.36 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.464 -0.773 . . . . 0.0 109.959 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -59.88 127.24 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.023 -1.048 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.589 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -117.38 80.94 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.907 -1.121 . . . . 0.0 109.724 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.0 t . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -58.11 -57.1 14.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.151 -0.968 . . . . 0.0 109.116 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.08 119.51 15.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -56.07 -15.07 3.09 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.033 -1.042 . . . . 0.0 111.524 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.8 ttm -85.37 -6.66 59.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.534 -1.354 . . . . 0.0 110.589 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.575 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.5 t0 -62.25 -160.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.793 -1.192 . . . . 0.0 109.603 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.5 mmmt -120.65 -75.72 0.59 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.279 -0.888 . . . . 0.0 109.925 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.586 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 mt-10 -70.15 -32.79 70.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.567 -1.333 . . . . 0.0 110.065 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.1 t -74.13 -8.81 57.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.061 ' O ' HD23 ' A' ' 17' ' ' LEU . 13.3 t -85.09 -35.84 10.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.797 -0.564 . . . . 0.0 110.249 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.878 ' HB3' HG22 ' A' ' 19' ' ' ILE . 8.4 m-30 -52.87 -22.33 5.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.961 -1.087 . . . . 0.0 110.238 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.2 m-85 -69.1 -29.83 68.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 0.0 110.974 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.855 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -81.65 25.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.876 -1.14 . . . . 0.0 110.497 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER 77.45 39.64 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.968 -1.082 . . . . 0.0 109.951 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.061 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.8 mm? -106.08 64.37 0.68 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.047 -1.033 . . . . 0.0 109.757 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.9 p-10 39.83 74.61 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.466 -0.771 . . . . 0.0 110.267 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.878 HG22 ' HB3' ' A' ' 13' ' ' TYR . 1.3 pt -66.55 60.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.636 HG23 ' O ' ' A' ' 20' ' ' ILE . 6.7 tp -79.53 64.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 120.862 -1.149 . . . . 0.0 110.106 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 109.571 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 4' ' ' SER . 9.2 t . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.509 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -41.67 -55.62 2.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.302 -0.873 . . . . 0.0 109.403 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.34 114.44 24.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.98 -17.56 18.06 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.063 -1.023 . . . . 0.0 111.842 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.2 ttt -87.32 -5.24 58.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.438 -1.414 . . . . 0.0 110.468 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.596 ' O ' HG21 ' A' ' 12' ' ' VAL . 15.9 t0 -49.36 178.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.071 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 6.7 mmpt? -109.68 -76.09 0.62 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.464 -0.772 . . . . 0.0 109.656 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.7 mt-10 -73.66 -32.67 64.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.517 -1.364 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 14.7 t -66.5 -17.85 65.03 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.038 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.1 t -80.79 -37.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.715 ' HB3' HG22 ' A' ' 19' ' ' ILE . 22.5 m-85 -59.52 -19.31 47.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 4.7 m-30 -71.67 -31.16 66.51 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 111.037 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.699 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.27 26.98 0.43 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.75 -1.219 . . . . 0.0 110.676 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 76.99 40.67 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.786 -1.196 . . . . 0.0 109.505 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.038 HD23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mm? -106.31 62.44 0.65 Allowed 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 17.6 t0 37.85 73.81 0.09 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.613 -0.679 . . . . 0.0 110.327 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.715 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.2 pt -66.21 127.6 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.015 -1.053 . . . . 0.0 109.311 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -117.13 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.903 -1.123 . . . . 0.0 109.817 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.833 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.511 ' SG ' ' N ' ' A' ' 4' ' ' SER . 8.3 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.511 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.3 t -63.5 -56.61 14.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 0.0 109.383 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 119.18 20.65 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.528 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -56.63 -15.24 4.09 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.923 -1.111 . . . . 0.0 111.577 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 7' ' ' MET . 7.7 ttt -87.78 -4.47 58.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.531 -1.355 . . . . 0.0 110.687 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.6 t70 -59.17 -153.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.861 -1.15 . . . . 0.0 109.498 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 10.2 mmmt -128.58 -76.65 0.56 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.396 -0.815 . . . . 0.0 109.493 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.54 -30.71 66.2 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.589 -1.319 . . . . 0.0 108.887 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.4 t -72.05 -15.63 62.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.061 ' O ' HD23 ' A' ' 17' ' ' LEU . 15.4 t -79.74 -32.49 14.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.824 -0.547 . . . . 0.0 109.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.751 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.1 m-30 -51.2 -25.86 6.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 0.0 110.132 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.6 m-30 -63.1 -30.6 71.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.88 . . . . 0.0 110.281 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.831 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.86 23.11 0.7 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 t-160 77.94 40.03 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.958 -1.089 . . . . 0.0 109.952 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.061 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.7 mm? -107.73 63.8 0.62 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.108 -0.995 . . . . 0.0 110.007 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 39.73 76.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.472 -0.768 . . . . 0.0 110.212 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.751 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -62.47 127.45 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 120.914 -1.116 . . . . 0.0 109.318 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -116.11 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.961 -1.087 . . . . 0.0 109.748 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.53 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 14.0 t . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.346 0.593 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.43 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 p -177.35 98.47 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.294 -0.879 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.5 t -118.91 161.74 19.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.196 -0.94 . . . . 0.0 108.914 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -52.34 -57.35 10.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.952 . . . . 0.0 109.188 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.52 118.46 25.82 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.437 -0.79 . . . . 0.0 108.869 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -58.73 -16.12 15.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.042 -1.037 . . . . 0.0 111.496 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.4 ttm -86.28 -5.91 59.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.426 -1.421 . . . . 0.0 110.553 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' O ' HG21 ' A' ' 12' ' ' VAL . 8.5 t0 -52.49 -174.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.905 -1.122 . . . . 0.0 109.549 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.2 -76.4 0.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -73.8 -32.91 63.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.612 -1.305 . . . . 0.0 109.278 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 19.9 t -65.92 -17.79 64.9 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.132 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.3 t -81.46 -35.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.152 0.501 . . . . 0.0 109.95 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.711 ' HB3' HG22 ' A' ' 19' ' ' ILE . 23.3 m-85 -61.92 -23.66 66.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.1 m-30 -67.48 -27.54 67.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 110.318 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.76 22.91 1.04 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.856 -1.152 . . . . 0.0 110.294 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.4 m-70 77.27 42.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.065 . . . . 0.0 109.987 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.132 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.5 mp -108.94 63.08 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 120.999 -1.063 . . . . 0.0 109.995 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.1 t70 39.49 72.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.446 -0.784 . . . . 0.0 110.001 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.711 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.5 pt -56.87 127.21 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.176 -0.953 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.5 mm -115.14 78.56 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.858 -1.151 . . . . 0.0 109.74 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.583 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.94 100.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.973 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 4' ' ' SER . 6.6 t -114.33 161.49 17.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.909 . . . . 0.0 108.988 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.506 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t -43.46 -57.88 2.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.38 117.09 26.05 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 108.992 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -60.33 -15.45 25.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.064 -1.022 . . . . 0.0 111.659 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' MET . 4.1 ttm -87.57 -5.12 58.9 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.382 -1.449 . . . . 0.0 110.583 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.634 ' O ' HG21 ' A' ' 12' ' ' VAL . 4.6 t70 -51.83 -175.1 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.908 -1.12 . . . . 0.0 109.498 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.04 -75.88 0.62 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.285 -0.884 . . . . 0.0 109.865 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -74.04 -32.65 63.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.579 -1.326 . . . . 0.0 109.404 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 8.5 t -66.49 -18.39 65.33 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.073 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.9 t -81.99 -35.96 13.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.722 ' HB3' HG22 ' A' ' 19' ' ' ILE . 18.8 m-30 -53.35 -23.85 10.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.118 -0.988 . . . . 0.0 110.074 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m-30 -66.03 -30.93 71.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.251 -0.905 . . . . 0.0 110.433 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.819 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.39 25.01 0.64 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.948 -1.095 . . . . 0.0 110.529 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.55 40.76 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.943 -1.098 . . . . 0.0 109.834 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.073 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.9 mm? -108.04 63.51 0.62 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.012 -1.055 . . . . 0.0 110.015 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.1 p-10 38.9 74.71 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.722 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -61.18 127.2 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 109.388 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.8 mm -116.1 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.124 . . . . 0.0 109.674 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.705 ' SG ' HD11 ' A' ' 6' ' ' LEU . 18.6 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -135.67 79.27 1.77 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.891 . . . . 0.0 109.622 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.4 t -139.92 161.64 37.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.002 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -57.99 -56.89 16.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 109.108 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.64 119.57 23.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.705 HD11 ' SG ' ' A' ' 1' ' ' CYS . 6.9 mp -58.01 -14.74 7.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 111.507 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.475 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.5 ttt -86.53 -5.92 59.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.413 -1.429 . . . . 0.0 110.688 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.622 ' O ' HG21 ' A' ' 12' ' ' VAL . 12.8 t0 -56.96 -171.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.788 -1.195 . . . . 0.0 109.697 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 6.8 mmpt? -110.48 -75.93 0.61 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 109.823 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.1 mt-10 -73.89 -32.92 63.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.502 -1.373 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 38.0 t -66.02 -19.17 65.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.125 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 t -78.67 -33.63 16.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.63 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.728 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.9 m-85 -61.68 -30.3 70.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.198 -0.939 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.7 m-30 -63.11 -25.53 68.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 110.08 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 60.2 m -81.84 17.55 1.49 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.112 -0.993 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 7.9 m80 79.97 41.27 0.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.203 -0.936 . . . . 0.0 110.073 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.125 HD22 ' CG1' ' A' ' 12' ' ' VAL . 5.9 mp -109.57 63.56 0.6 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.878 -1.139 . . . . 0.0 110.059 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t0 39.79 72.89 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.934 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.728 HG22 ' HB3' ' A' ' 13' ' ' TYR . 5.5 pt -56.15 127.66 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.994 -1.066 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.6 mm -115.49 78.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.606 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -162.93 92.35 0.76 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.192 -0.943 . . . . 0.0 109.723 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t -140.36 161.61 37.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 0.0 108.84 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t -57.88 -57.02 14.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.06 -1.025 . . . . 0.0 109.078 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.83 119.46 16.04 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.543 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.1 mp -55.25 -15.6 2.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.01 -1.056 . . . . 0.0 111.466 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.482 ' O ' ' HG3' ' A' ' 7' ' ' MET . 6.2 ttp -85.8 -6.29 59.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.569 -1.332 . . . . 0.0 110.631 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.4 t70 -59.02 -152.57 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.615 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.8 mmmt -130.38 -76.59 0.53 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.29 -31.23 67.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.607 -1.308 . . . . 0.0 109.123 179.635 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.9 t -74.47 -11.64 60.28 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.081 ' O ' HD23 ' A' ' 17' ' ' LEU . 13.7 t -81.51 -33.85 12.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.825 -0.547 . . . . 0.0 109.958 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.744 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.6 m-85 -51.15 -25.4 5.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.014 -1.054 . . . . 0.0 110.245 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -64.47 -30.25 71.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.0 110.423 -179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.826 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.42 23.29 0.77 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.116 -0.99 . . . . 0.0 110.442 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 7.6 m-70 77.48 40.54 0.16 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.87 -1.144 . . . . 0.0 109.931 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.081 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.85 63.45 0.62 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.066 -1.021 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.1 t70 39.94 75.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.79 . . . . 0.0 110.105 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.744 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -61.06 127.3 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.987 -1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -115.76 78.82 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.948 -1.095 . . . . 0.0 109.764 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.549 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -165.81 93.81 0.56 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.213 -0.929 . . . . 0.0 109.696 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.2 t -134.24 161.37 35.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.338 -0.851 . . . . 0.0 108.909 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -59.37 -57.15 14.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.154 -0.966 . . . . 0.0 109.106 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.99 119.62 18.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.24 -15.2 3.51 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.027 -1.046 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.48 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.0 ttt -86.19 -6.14 59.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.498 -1.376 . . . . 0.0 110.571 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.8 t0 -58.7 -158.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.851 -1.156 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' NZ ' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -121.37 -76.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.31 -0.868 . . . . 0.0 110.037 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.25 -31.37 64.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.368 -1.457 . . . . 0.0 109.088 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.8 t -66.76 -19.63 65.79 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.119 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.6 t -78.08 -32.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-O 121.277 0.56 . . . . 0.0 109.633 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.877 ' HB3' HG22 ' A' ' 19' ' ' ILE . 11.5 m-30 -59.6 -23.02 62.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.293 -0.879 . . . . 0.0 109.855 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.7 m-30 -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 110.666 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -81.74 25.47 0.54 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.793 -1.192 . . . . 0.0 110.601 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.21 39.55 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.861 -1.149 . . . . 0.0 109.946 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.119 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.2 mp -109.29 64.85 0.61 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.098 -1.001 . . . . 0.0 109.687 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.7 t70 41.98 78.07 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.48 -0.763 . . . . 0.0 109.831 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.877 HG22 ' HB3' ' A' ' 13' ' ' TYR . 1.4 pt -66.03 60.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.105 -0.997 . . . . 0.0 109.934 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.641 HG23 ' O ' ' A' ' 20' ' ' ILE . 6.6 tp -79.06 64.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.935 -1.103 . . . . 0.0 110.087 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 O-C-N 120.838 -1.164 . . . . 0.0 109.584 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.1 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.499 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 1.7 m 173.19 102.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.554 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -146.84 161.46 40.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 109.02 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 t -57.93 -57.17 13.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.042 -1.037 . . . . 0.0 108.999 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.5 119.56 17.57 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.77 -14.93 2.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.027 -1.046 . . . . 0.0 111.52 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.484 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.5 ttp -86.49 -5.85 59.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.494 -1.379 . . . . 0.0 110.713 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 8.6 t0 -59.17 -151.9 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.833 -1.167 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -130.9 -76.73 0.53 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.392 -0.817 . . . . 0.0 109.638 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -71.05 -31.1 67.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.645 -1.284 . . . . 0.0 109.044 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.1 t -75.18 -12.45 60.3 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.045 ' O ' HD23 ' A' ' 17' ' ' LEU . 20.7 t -80.38 -31.6 13.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.833 -0.542 . . . . 0.0 110.057 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.777 ' HB3' HG22 ' A' ' 19' ' ' ILE . 14.0 m-30 -50.63 -24.95 3.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.093 -1.004 . . . . 0.0 110.022 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.8 m-85 -63.25 -30.62 71.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.868 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.82 22.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.044 -1.035 . . . . 0.0 110.252 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER 78.58 41.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.129 -0.982 . . . . 0.0 110.016 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.48 63.76 0.61 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.97 -1.082 . . . . 0.0 110.232 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' LEU . 9.7 t70 40.66 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.777 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.74 127.6 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.615 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.3 mm -116.56 79.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.886 -1.134 . . . . 0.0 109.706 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.629 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.567 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m -162.91 92.48 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.1 t -137.38 161.75 35.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.286 -0.884 . . . . 0.0 108.877 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.514 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -58.23 -56.91 16.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.12 119.22 18.61 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -57.09 -14.72 4.14 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.05 -1.031 . . . . 0.0 111.632 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 7' ' ' MET . 47.6 ttm -86.16 -5.33 59.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.488 -1.383 . . . . 0.0 110.788 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.593 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.2 t0 -62.81 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 109.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 4.3 mmpt? -116.8 -74.47 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 109.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.8 mt-10 -71.87 -33.2 68.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.658 -1.276 . . . . 0.0 110.046 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 46.8 t -72.2 -10.78 60.23 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.058 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.4 t -82.96 -35.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.797 -0.564 . . . . 0.0 109.972 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.743 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.3 m-30 -50.13 -26.03 4.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.985 -1.072 . . . . 0.0 110.3 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.71 -30.09 71.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.193 -0.942 . . . . 0.0 110.374 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.819 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.7 22.8 0.86 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER 77.83 40.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.971 -1.08 . . . . 0.0 109.934 179.54 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.058 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.08 63.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.014 -1.054 . . . . 0.0 110.083 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.2 t0 40.3 76.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 110.073 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.743 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.7 pt -61.51 127.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.015 -1.053 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.616 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -116.09 78.84 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.935 -1.103 . . . . 0.0 109.765 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.545 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.6 t . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.493 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER 174.47 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.309 -0.869 . . . . 0.0 109.51 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.7 t -145.16 161.23 40.0 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 0.0 109.048 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -60.07 -56.99 14.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.123 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.31 119.85 18.12 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.547 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.97 -14.18 3.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.127 -0.983 . . . . 0.0 111.672 -178.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' MET . 7.4 ttp -85.42 -6.77 59.19 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.545 -1.347 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.586 ' O ' HG21 ' A' ' 12' ' ' VAL . 2.0 t70 -62.74 -163.35 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.742 -1.224 . . . . 0.0 109.484 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 3.9 mmpt? -117.83 -74.35 0.61 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.307 -0.87 . . . . 0.0 109.939 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 20.0 mt-10 -71.61 -32.96 68.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.585 -1.322 . . . . 0.0 110.033 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.2 t -72.26 -11.89 60.91 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.048 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.9 t -81.65 -33.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.781 -0.574 . . . . 0.0 109.997 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.768 ' HB3' HG22 ' A' ' 19' ' ' ILE . 16.4 m-30 -50.26 -24.68 3.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.021 -1.049 . . . . 0.0 110.053 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.86 -30.62 71.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 110.341 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.87 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.71 22.91 0.85 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.06 -1.025 . . . . 0.0 110.267 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 29.0 t60 78.59 40.82 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.027 -1.046 . . . . 0.0 110.075 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.048 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.29 63.61 0.61 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.032 -1.042 . . . . 0.0 110.118 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.4 t0 40.57 77.63 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 110.036 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.52 127.48 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.069 . . . . 0.0 109.35 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.5 mm -116.53 80.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 109.768 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.838 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 19.5 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.326 0.584 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 172.24 102.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -119.93 161.51 20.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.165 -0.959 . . . . 0.0 108.91 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 15.4 t -50.76 -50.26 56.18 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.05 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.86 116.16 22.48 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.18 -15.88 28.04 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.055 -1.028 . . . . 0.0 111.719 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.53 ' O ' ' CG ' ' A' ' 7' ' ' MET . 1.5 ttp -102.28 29.13 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.846 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.602 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.3 t0 -80.16 -167.53 1.34 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.518 -1.364 . . . . 0.0 109.189 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 5.7 mmpt? -105.84 -76.85 0.6 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.9 mt-10 -77.77 -32.3 52.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.537 -1.352 . . . . 0.0 109.584 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.6 t -66.08 -17.95 65.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.123 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.5 t -81.3 -35.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.157 0.503 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.726 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.8 m-85 -61.01 -23.96 65.8 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.106 -0.996 . . . . 0.0 109.601 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.2 m-30 -66.59 -28.34 68.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 110.259 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.33 23.23 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.129 . . . . 0.0 110.32 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.5 42.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.031 -1.043 . . . . 0.0 110.026 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.123 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.82 63.59 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.944 -1.097 . . . . 0.0 109.958 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.1 t0 39.76 74.49 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.504 -0.747 . . . . 0.0 109.978 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.5 pt -59.31 127.54 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.038 -1.039 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.8 mm -115.75 78.73 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.739 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.583 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.535 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 19.0 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 1.7 t 163.87 120.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.33 -0.856 . . . . 0.0 109.601 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.1 t -113.3 161.57 17.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 108.767 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 17.0 t -44.23 -52.68 7.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 0.0 109.156 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.26 117.01 19.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 108.936 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -59.99 -14.66 17.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.047 -1.033 . . . . 0.0 111.611 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 7' ' ' MET . 10.4 ttt -88.22 -3.68 58.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.415 -1.428 . . . . 0.0 110.686 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.3 t0 -55.45 -165.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.937 -1.102 . . . . 0.0 109.427 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 3.2 mmmt -116.43 -77.65 0.57 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.186 -0.946 . . . . 0.0 109.919 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.4 mt-10 -72.62 -31.79 65.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.485 -1.384 . . . . 0.0 109.207 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.0 t -67.23 -18.34 65.19 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.118 ' CG1' HD22 ' A' ' 17' ' ' LEU . 5.4 t -80.78 -34.86 14.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.183 0.516 . . . . 0.0 109.85 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.716 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.7 m-85 -60.98 -22.61 64.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.1 m-30 -67.34 -28.58 68.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 110.202 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -82.85 23.32 0.83 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.791 -1.193 . . . . 0.0 110.324 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 76.99 41.99 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.103 . . . . 0.0 109.72 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.118 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.08 63.42 0.6 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.003 -1.06 . . . . 0.0 109.943 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 13.0 t70 39.78 75.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.47 -0.769 . . . . 0.0 110.061 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.716 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.3 pt -59.96 127.46 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.045 -1.035 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.9 mm -115.81 78.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.924 -1.11 . . . . 0.0 109.738 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.613 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.4 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.499 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 11.3 p 174.11 101.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.354 -0.841 . . . . 0.0 109.606 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -145.89 161.16 40.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.211 -0.931 . . . . 0.0 109.095 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t -59.97 -57.11 14.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -0.929 . . . . 0.0 109.084 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.48 119.84 17.92 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.83 -14.35 3.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.042 -1.036 . . . . 0.0 111.564 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.487 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.56 -6.74 59.14 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.61 -1.306 . . . . 0.0 110.714 -179.147 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.553 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.1 t0 -62.45 -159.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.735 -1.228 . . . . 0.0 109.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.1 mmmt -121.76 -75.61 0.59 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.851 . . . . 0.0 109.836 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 16.5 mt-10 -70.48 -32.32 69.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.674 -1.266 . . . . 0.0 109.915 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 50.2 t -73.51 -12.39 60.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.044 ' O ' HD23 ' A' ' 17' ' ' LEU . 14.3 t -81.15 -32.56 12.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.824 -0.548 . . . . 0.0 110.008 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.774 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.1 m-30 -51.0 -24.29 3.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.023 -1.048 . . . . 0.0 109.968 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.3 m-30 -64.09 -30.75 71.8 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 110.279 -179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.862 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.64 23.09 0.82 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.078 . . . . 0.0 110.28 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER 78.64 40.69 0.11 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 0.0 110.032 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.044 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.09 63.94 0.62 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.01 -1.056 . . . . 0.0 110.114 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 6.8 p-10 39.9 77.0 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.302 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.774 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.7 pt -62.8 127.41 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.971 -1.081 . . . . 0.0 109.397 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.616 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.2 mm -116.18 78.93 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.988 -1.07 . . . . 0.0 109.752 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.626 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.597 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -164.53 93.33 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.648 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.7 t -137.72 161.72 35.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -0.932 . . . . 0.0 108.904 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 t -57.7 -57.06 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.074 -1.017 . . . . 0.0 109.073 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.13 118.77 20.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -56.1 -15.21 3.33 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.016 -1.053 . . . . 0.0 111.546 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 8' ' ' ASP . 54.5 ttm -87.77 -4.63 58.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.534 -1.354 . . . . 0.0 110.691 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 9.9 t0 -57.92 -159.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.89 -1.131 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -123.49 -76.14 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.332 -0.855 . . . . 0.0 109.502 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -72.12 -30.74 65.36 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.627 -1.296 . . . . 0.0 108.998 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.5 t -72.81 -13.09 61.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.072 ' O ' HD23 ' A' ' 17' ' ' LEU . 12.1 t -81.73 -34.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.766 -0.584 . . . . 0.0 110.04 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.737 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.7 m-30 -50.79 -25.83 4.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.952 -1.093 . . . . 0.0 110.232 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -63.86 -30.18 71.29 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 110.43 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.827 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.53 22.85 0.82 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.975 -1.078 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.1 t-80 77.64 40.71 0.15 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 109.934 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.072 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.9 63.29 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.0 -1.063 . . . . 0.0 110.111 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.22 76.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.462 -0.774 . . . . 0.0 109.981 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.737 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -61.14 127.25 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.984 -1.072 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -116.21 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.953 -1.092 . . . . 0.0 109.792 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.517 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.4 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.505 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 1.9 m 173.9 102.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 0.0 109.538 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t -142.78 161.51 37.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.393 -0.817 . . . . 0.0 108.89 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -58.26 -57.09 14.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.121 -0.987 . . . . 0.0 109.015 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.1 119.41 17.81 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -56.89 -14.65 3.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.02 -1.05 . . . . 0.0 111.576 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.5 ttp -85.79 -6.56 59.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.517 -1.364 . . . . 0.0 110.736 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.56 ' O ' HG21 ' A' ' 12' ' ' VAL . 3.4 t70 -61.04 -159.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.865 -1.147 . . . . 0.0 109.487 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.3 mmmm -121.97 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.339 -0.85 . . . . 0.0 109.813 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.575 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 8.9 mt-10 -70.54 -32.41 69.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.609 -1.307 . . . . 0.0 109.824 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 45.3 t -73.55 -11.4 60.43 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.056 ' O ' HD23 ' A' ' 17' ' ' LEU . 16.8 t -82.76 -32.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.711 -0.618 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.768 ' HB3' HG22 ' A' ' 19' ' ' ILE . 14.7 m-30 -50.54 -24.95 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.971 -1.081 . . . . 0.0 109.995 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.0 m-30 -63.23 -30.59 71.71 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.201 -0.937 . . . . 0.0 110.126 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.867 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.74 22.59 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.036 -1.04 . . . . 0.0 110.256 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.2 t60 78.39 41.03 0.12 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.159 -0.963 . . . . 0.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.056 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.2 63.52 0.61 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.52 77.72 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.431 -0.793 . . . . 0.0 110.101 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.14 127.47 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.068 -1.02 . . . . 0.0 109.317 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.2 mm -116.41 78.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.986 -1.071 . . . . 0.0 109.747 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.633 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.606 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.798 ' SG ' HD11 ' A' ' 6' ' ' LEU . 17.8 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.8 80.91 1.82 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t -139.66 161.61 37.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 0.0 108.997 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.522 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.5 t -57.89 -57.09 14.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.082 -1.011 . . . . 0.0 109.028 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.14 119.03 21.33 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.798 HD11 ' SG ' ' A' ' 1' ' ' CYS . 6.8 mp -57.45 -15.02 5.71 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.018 -1.051 . . . . 0.0 111.525 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 8' ' ' ASP . 28.2 ttt -87.2 -4.66 59.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.495 -1.378 . . . . 0.0 110.683 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 7' ' ' MET . 3.7 t0 -57.69 -159.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.828 -1.17 . . . . 0.0 109.528 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 14.4 mmmt -120.07 -77.68 0.58 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -0.904 . . . . 0.0 109.799 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.9 mt-10 -73.68 -31.24 63.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.412 -1.43 . . . . 0.0 109.043 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t -66.53 -19.9 65.89 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.127 ' CG1' HD22 ' A' ' 17' ' ' LEU . 3.8 t -76.96 -33.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.735 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.4 m-85 -61.52 -29.89 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.18 -0.95 . . . . 0.0 109.477 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 m-30 -63.76 -25.39 68.17 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.421 -0.799 . . . . 0.0 110.023 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 45.7 m -81.87 17.7 1.47 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.041 -1.037 . . . . 0.0 110.199 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 8.8 t-160 79.82 41.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.137 -0.977 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.127 HD22 ' CG1' ' A' ' 12' ' ' VAL . 5.7 mp -109.05 63.56 0.6 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.056 -1.027 . . . . 0.0 110.04 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 6.7 p-10 39.51 72.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.594 -0.691 . . . . 0.0 110.066 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.735 HG22 ' HB3' ' A' ' 13' ' ' TYR . 5.4 pt -55.48 127.62 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.004 -1.06 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.6 mm -115.44 78.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.825 -1.172 . . . . 0.0 109.703 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.561 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.15 93.46 0.61 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 109.818 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 2.5 t -137.32 161.56 35.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.89 . . . . 0.0 108.759 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -57.71 -57.26 13.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.144 -0.972 . . . . 0.0 109.037 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.34 16.4 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -55.68 -15.0 2.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.038 -1.039 . . . . 0.0 111.556 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -85.56 -6.54 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.497 -1.377 . . . . 0.0 110.66 -179.26 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.624 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.6 t0 -61.55 -166.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.739 -1.225 . . . . 0.0 109.575 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 5.1 mmpt? -114.54 -74.26 0.62 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -0.831 . . . . 0.0 109.768 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.99 -33.73 68.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.573 -1.329 . . . . 0.0 109.886 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.1 t -71.51 -8.68 55.47 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.119 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 t -86.04 -35.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.719 -0.613 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.749 ' HB3' HG22 ' A' ' 19' ' ' ILE . 20.6 m-85 -57.6 -24.17 54.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.999 -1.063 . . . . 0.0 109.991 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -64.99 -28.24 69.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 110.035 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.99 21.99 0.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.092 . . . . 0.0 110.302 179.711 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.72 41.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.078 -1.014 . . . . 0.0 109.924 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.119 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.4 mp -108.92 63.79 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 O-C-N 121.021 -1.049 . . . . 0.0 109.991 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.0 t0 40.37 76.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.469 -0.77 . . . . 0.0 110.079 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.749 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.1 pt -60.95 127.36 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 109.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.632 ' O ' HG22 ' A' ' 20' ' ' ILE . 10.9 mm -115.78 78.77 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.847 -1.158 . . . . 0.0 109.762 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.603 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.8 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.43 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 26.3 p -177.34 98.66 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 0.0 109.52 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.6 t -137.31 161.29 36.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 108.983 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -59.52 -57.07 14.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 119.71 18.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.524 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.92 -14.67 3.74 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.972 -1.08 . . . . 0.0 111.529 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.481 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.8 ttm -85.7 -6.6 59.11 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.519 -1.363 . . . . 0.0 110.714 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.567 ' O ' HG21 ' A' ' 12' ' ' VAL . 12.1 t0 -61.42 -160.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.849 -1.157 . . . . 0.0 109.56 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 mmmt -121.06 -75.73 0.59 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 109.795 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 9.4 mt-10 -70.24 -32.44 70.3 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.632 -1.292 . . . . 0.0 109.872 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 43.8 t -73.31 -11.59 60.55 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.054 ' O ' HD23 ' A' ' 17' ' ' LEU . 17.6 t -83.45 -32.86 9.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.81 -0.556 . . . . 0.0 110.188 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.755 ' HB3' HG22 ' A' ' 19' ' ' ILE . 13.0 m-30 -50.86 -25.53 4.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 0.0 110.114 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.1 m-30 -63.3 -30.11 71.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.172 -0.955 . . . . 0.0 110.296 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.857 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.57 22.12 0.91 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.052 -1.03 . . . . 0.0 110.214 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 m-70 78.08 41.01 0.13 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.881 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.054 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.7 mm? -107.9 63.62 0.62 Allowed 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.998 -1.064 . . . . 0.0 110.071 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 40.02 76.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.476 -0.765 . . . . 0.0 110.14 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.755 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -60.73 127.1 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 120.983 -1.073 . . . . 0.0 109.313 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -116.05 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.993 -1.067 . . . . 0.0 109.81 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.618 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 91.33 0.92 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.292 -0.88 . . . . 0.0 109.692 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t -138.99 161.69 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 108.84 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t -57.35 -57.04 14.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 109.086 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.11 119.61 14.91 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.56 -14.98 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.993 -1.067 . . . . 0.0 111.349 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' ASP . 7.6 tpt -83.45 -9.22 59.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.622 -1.299 . . . . 0.0 110.43 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 11.4 t0 -58.6 -153.64 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.138 . . . . 0.0 109.633 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 9.2 mmmt -129.69 -76.49 0.54 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.254 -0.904 . . . . 0.0 109.808 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.75 -31.09 67.79 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.679 -1.263 . . . . 0.0 109.076 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.5 t -74.47 -11.39 60.21 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.073 ' O ' HD23 ' A' ' 17' ' ' LEU . 15.0 t -82.12 -33.75 11.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.77 -0.581 . . . . 0.0 110.143 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.732 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.3 m-30 -50.89 -25.36 4.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.02 -1.05 . . . . 0.0 110.155 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.3 m-85 -64.63 -30.13 71.14 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 110.46 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.829 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.49 22.86 0.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.076 -1.015 . . . . 0.0 110.392 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.8 t-80 77.41 40.75 0.16 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.073 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.67 63.24 0.62 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.952 -1.092 . . . . 0.0 110.1 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t70 39.92 75.36 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.464 -0.773 . . . . 0.0 109.959 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -59.88 127.24 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.023 -1.048 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.589 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -117.38 80.94 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.907 -1.121 . . . . 0.0 109.724 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.15 91.86 0.81 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.0 t -134.19 161.64 34.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 0.0 108.774 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -58.11 -57.1 14.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.151 -0.968 . . . . 0.0 109.116 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.08 119.51 15.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -56.07 -15.07 3.09 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.033 -1.042 . . . . 0.0 111.524 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.8 ttm -85.37 -6.66 59.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.534 -1.354 . . . . 0.0 110.589 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.575 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.5 t0 -62.25 -160.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.793 -1.192 . . . . 0.0 109.603 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.5 mmmt -120.65 -75.72 0.59 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.279 -0.888 . . . . 0.0 109.925 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.586 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 mt-10 -70.15 -32.79 70.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.567 -1.333 . . . . 0.0 110.065 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.1 t -74.13 -8.81 57.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.061 ' O ' HD23 ' A' ' 17' ' ' LEU . 13.3 t -85.09 -35.84 10.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.797 -0.564 . . . . 0.0 110.249 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.878 ' HB3' HG22 ' A' ' 19' ' ' ILE . 8.4 m-30 -52.87 -22.33 5.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.961 -1.087 . . . . 0.0 110.238 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.2 m-85 -69.1 -29.83 68.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 0.0 110.974 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.855 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -81.65 25.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.876 -1.14 . . . . 0.0 110.497 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER 77.45 39.64 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.968 -1.082 . . . . 0.0 109.951 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.061 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.8 mm? -106.08 64.37 0.68 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.047 -1.033 . . . . 0.0 109.757 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.9 p-10 39.83 74.61 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.466 -0.771 . . . . 0.0 110.267 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.878 HG22 ' HB3' ' A' ' 13' ' ' TYR . 1.3 pt -66.55 60.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.636 HG23 ' O ' ' A' ' 20' ' ' ILE . 6.7 tp -79.53 64.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 120.862 -1.149 . . . . 0.0 110.106 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 109.571 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 19.8 p . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.507 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER 172.13 101.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 4' ' ' SER . 9.2 t -56.47 161.53 2.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.509 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -41.67 -55.62 2.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.302 -0.873 . . . . 0.0 109.403 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.34 114.44 24.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.98 -17.56 18.06 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.063 -1.023 . . . . 0.0 111.842 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.2 ttt -87.32 -5.24 58.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.438 -1.414 . . . . 0.0 110.468 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.596 ' O ' HG21 ' A' ' 12' ' ' VAL . 15.9 t0 -49.36 178.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.071 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 6.7 mmpt? -109.68 -76.09 0.62 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.464 -0.772 . . . . 0.0 109.656 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.7 mt-10 -73.66 -32.67 64.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.517 -1.364 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 14.7 t -66.5 -17.85 65.03 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.038 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.1 t -80.79 -37.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.715 ' HB3' HG22 ' A' ' 19' ' ' ILE . 22.5 m-85 -59.52 -19.31 47.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 4.7 m-30 -71.67 -31.16 66.51 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 111.037 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.699 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.27 26.98 0.43 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.75 -1.219 . . . . 0.0 110.676 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 76.99 40.67 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.786 -1.196 . . . . 0.0 109.505 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.038 HD23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mm? -106.31 62.44 0.65 Allowed 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 17.6 t0 37.85 73.81 0.09 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.613 -0.679 . . . . 0.0 110.327 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.715 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.2 pt -66.21 127.6 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.015 -1.053 . . . . 0.0 109.311 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -117.13 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.903 -1.123 . . . . 0.0 109.817 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.833 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.016 ' CB ' HD11 ' A' ' 6' ' ' LEU . 6.8 t . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 60.75 1.05 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 109.948 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.511 ' SG ' ' N ' ' A' ' 4' ' ' SER . 8.3 t -153.72 160.49 42.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 109.429 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.511 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.3 t -63.5 -56.61 14.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 0.0 109.383 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 119.18 20.65 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.016 HD11 ' CB ' ' A' ' 1' ' ' CYS . 7.0 mp -56.63 -15.24 4.09 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.923 -1.111 . . . . 0.0 111.577 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 7' ' ' MET . 7.7 ttt -87.78 -4.47 58.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.531 -1.355 . . . . 0.0 110.687 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.6 t70 -59.17 -153.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.861 -1.15 . . . . 0.0 109.498 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 10.2 mmmt -128.58 -76.65 0.56 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.396 -0.815 . . . . 0.0 109.493 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.54 -30.71 66.2 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.589 -1.319 . . . . 0.0 108.887 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.4 t -72.05 -15.63 62.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.061 ' O ' HD23 ' A' ' 17' ' ' LEU . 15.4 t -79.74 -32.49 14.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.824 -0.547 . . . . 0.0 109.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.751 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.1 m-30 -51.2 -25.86 6.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 0.0 110.132 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.6 m-30 -63.1 -30.6 71.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.88 . . . . 0.0 110.281 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.831 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.86 23.11 0.7 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 t-160 77.94 40.03 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.958 -1.089 . . . . 0.0 109.952 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.061 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.7 mm? -107.73 63.8 0.62 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.108 -0.995 . . . . 0.0 110.007 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 39.73 76.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.472 -0.768 . . . . 0.0 110.212 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.751 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -62.47 127.45 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 120.914 -1.116 . . . . 0.0 109.318 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 20' ' ' ILE . 11.0 mm -116.11 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.961 -1.087 . . . . 0.0 109.748 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.53 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.5 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -52.34 -57.35 10.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.952 . . . . 0.0 109.188 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.52 118.46 25.82 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.437 -0.79 . . . . 0.0 108.869 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -58.73 -16.12 15.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.042 -1.037 . . . . 0.0 111.496 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.4 ttm -86.28 -5.91 59.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.426 -1.421 . . . . 0.0 110.553 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.625 ' O ' HG21 ' A' ' 12' ' ' VAL . 8.5 t0 -52.49 -174.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.905 -1.122 . . . . 0.0 109.549 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.2 -76.4 0.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -73.8 -32.91 63.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.612 -1.305 . . . . 0.0 109.278 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 19.9 t -65.92 -17.79 64.9 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.132 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.3 t -81.46 -35.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.152 0.501 . . . . 0.0 109.95 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.711 ' HB3' HG22 ' A' ' 19' ' ' ILE . 23.3 m-85 -61.92 -23.66 66.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.1 m-30 -67.48 -27.54 67.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 110.318 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.76 22.91 1.04 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.856 -1.152 . . . . 0.0 110.294 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.4 m-70 77.27 42.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.065 . . . . 0.0 109.987 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.132 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.5 mp -108.94 63.08 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 120.999 -1.063 . . . . 0.0 109.995 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.1 t70 39.49 72.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.446 -0.784 . . . . 0.0 110.001 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.711 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.5 pt -56.87 127.21 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.176 -0.953 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.5 mm -115.14 78.56 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.858 -1.151 . . . . 0.0 109.74 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.583 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 4' ' ' SER . 6.6 t . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.506 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t -43.46 -57.88 2.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.38 117.09 26.05 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 108.992 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -60.33 -15.45 25.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.064 -1.022 . . . . 0.0 111.659 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' MET . 4.1 ttm -87.57 -5.12 58.9 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.382 -1.449 . . . . 0.0 110.583 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.634 ' O ' HG21 ' A' ' 12' ' ' VAL . 4.6 t70 -51.83 -175.1 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.908 -1.12 . . . . 0.0 109.498 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.04 -75.88 0.62 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.285 -0.884 . . . . 0.0 109.865 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -74.04 -32.65 63.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.579 -1.326 . . . . 0.0 109.404 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 8.5 t -66.49 -18.39 65.33 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.073 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.9 t -81.99 -35.96 13.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.722 ' HB3' HG22 ' A' ' 19' ' ' ILE . 18.8 m-30 -53.35 -23.85 10.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.118 -0.988 . . . . 0.0 110.074 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 4.0 m-30 -66.03 -30.93 71.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.251 -0.905 . . . . 0.0 110.433 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.819 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.39 25.01 0.64 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.948 -1.095 . . . . 0.0 110.529 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.55 40.76 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.943 -1.098 . . . . 0.0 109.834 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.073 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.9 mm? -108.04 63.51 0.62 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.012 -1.055 . . . . 0.0 110.015 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.1 p-10 38.9 74.71 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.722 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -61.18 127.2 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 109.388 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.8 mm -116.1 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.124 . . . . 0.0 109.674 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.4 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -57.99 -56.89 16.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 109.108 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.64 119.57 23.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -58.01 -14.74 7.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 111.507 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.475 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.5 ttt -86.53 -5.92 59.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.413 -1.429 . . . . 0.0 110.688 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.622 ' O ' HG21 ' A' ' 12' ' ' VAL . 12.8 t0 -56.96 -171.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.788 -1.195 . . . . 0.0 109.697 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 6.8 mmpt? -110.48 -75.93 0.61 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 109.823 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.1 mt-10 -73.89 -32.92 63.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.502 -1.373 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 38.0 t -66.02 -19.17 65.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.125 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 t -78.67 -33.63 16.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.63 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.728 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.9 m-85 -61.68 -30.3 70.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.198 -0.939 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.7 m-30 -63.11 -25.53 68.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 110.08 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 60.2 m -81.84 17.55 1.49 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.112 -0.993 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 18.3 m-70 79.97 41.27 0.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.203 -0.936 . . . . 0.0 110.073 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.125 HD22 ' CG1' ' A' ' 12' ' ' VAL . 5.9 mp -109.57 63.56 0.6 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.878 -1.139 . . . . 0.0 110.059 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t0 39.79 72.89 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.934 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.728 HG22 ' HB3' ' A' ' 13' ' ' TYR . 5.5 pt -56.15 127.66 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.994 -1.066 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.6 mm -115.49 78.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.606 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t -57.88 -57.02 14.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.06 -1.025 . . . . 0.0 109.078 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.83 119.46 16.04 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.543 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.1 mp -55.25 -15.6 2.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.01 -1.056 . . . . 0.0 111.466 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.482 ' O ' ' HG3' ' A' ' 7' ' ' MET . 6.2 ttp -85.8 -6.29 59.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.569 -1.332 . . . . 0.0 110.631 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.4 t70 -59.02 -152.57 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.615 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.8 mmmt -130.38 -76.59 0.53 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.29 -31.23 67.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.607 -1.308 . . . . 0.0 109.123 179.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.9 t -74.47 -11.64 60.28 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.081 ' O ' HD23 ' A' ' 17' ' ' LEU . 13.7 t -81.51 -33.85 12.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.825 -0.547 . . . . 0.0 109.958 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.744 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.6 m-85 -51.15 -25.4 5.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.014 -1.054 . . . . 0.0 110.245 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -64.47 -30.25 71.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.0 110.423 -179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.826 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.42 23.29 0.77 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.116 -0.99 . . . . 0.0 110.442 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 7.6 m-70 77.48 40.54 0.16 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.87 -1.144 . . . . 0.0 109.931 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.081 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.85 63.45 0.62 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.066 -1.021 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.1 t70 39.94 75.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.79 . . . . 0.0 110.105 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.744 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -61.06 127.3 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.987 -1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -115.76 78.82 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.948 -1.095 . . . . 0.0 109.764 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.549 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.2 t . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -59.37 -57.15 14.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.154 -0.966 . . . . 0.0 109.106 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.99 119.62 18.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.24 -15.2 3.51 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.027 -1.046 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.48 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.0 ttt -86.19 -6.14 59.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.498 -1.376 . . . . 0.0 110.571 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.8 t0 -58.7 -158.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.851 -1.156 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HA ' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -121.37 -76.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.31 -0.868 . . . . 0.0 110.037 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.25 -31.37 64.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.368 -1.457 . . . . 0.0 109.088 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.8 t -66.76 -19.63 65.79 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.119 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.6 t -78.08 -32.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-O 121.277 0.56 . . . . 0.0 109.633 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.877 ' HB3' HG22 ' A' ' 19' ' ' ILE . 11.5 m-30 -59.6 -23.02 62.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.293 -0.879 . . . . 0.0 109.855 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.7 m-30 -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 110.666 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -81.74 25.47 0.54 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.793 -1.192 . . . . 0.0 110.601 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.21 39.55 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.861 -1.149 . . . . 0.0 109.946 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.119 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.2 mp -109.29 64.85 0.61 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.098 -1.001 . . . . 0.0 109.687 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.7 t70 41.98 78.07 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.48 -0.763 . . . . 0.0 109.831 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.877 HG22 ' HB3' ' A' ' 13' ' ' TYR . 1.4 pt -66.03 60.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.105 -0.997 . . . . 0.0 109.934 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 20' ' ' ILE . 6.6 tp -79.06 64.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.935 -1.103 . . . . 0.0 110.087 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 O-C-N 120.838 -1.164 . . . . 0.0 109.584 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 t -57.93 -57.17 13.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.042 -1.037 . . . . 0.0 108.999 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.5 119.56 17.57 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.77 -14.93 2.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.027 -1.046 . . . . 0.0 111.52 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.484 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.5 ttp -86.49 -5.85 59.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.494 -1.379 . . . . 0.0 110.713 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 8.6 t0 -59.17 -151.9 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.833 -1.167 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -130.9 -76.73 0.53 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.392 -0.817 . . . . 0.0 109.638 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -71.05 -31.1 67.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.645 -1.284 . . . . 0.0 109.044 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.1 t -75.18 -12.45 60.3 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.045 ' O ' HD23 ' A' ' 17' ' ' LEU . 20.7 t -80.38 -31.6 13.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.833 -0.542 . . . . 0.0 110.057 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.777 ' HB3' HG22 ' A' ' 19' ' ' ILE . 14.0 m-30 -50.63 -24.95 3.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.093 -1.004 . . . . 0.0 110.022 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.8 m-85 -63.25 -30.62 71.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.868 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.82 22.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.044 -1.035 . . . . 0.0 110.252 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER 78.58 41.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.129 -0.982 . . . . 0.0 110.016 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.48 63.76 0.61 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.97 -1.082 . . . . 0.0 110.232 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' LEU . 9.7 t70 40.66 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.777 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.74 127.6 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.3 mm -116.56 79.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.886 -1.134 . . . . 0.0 109.706 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.629 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.567 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.1 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.514 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -58.23 -56.91 16.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.12 119.22 18.61 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -57.09 -14.72 4.14 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.05 -1.031 . . . . 0.0 111.632 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.45 ' O ' ' HG2' ' A' ' 7' ' ' MET . 47.6 ttm -86.16 -5.33 59.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.488 -1.383 . . . . 0.0 110.788 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.593 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.2 t0 -62.81 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 109.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 4.3 mmpt? -116.8 -74.47 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 109.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.8 mt-10 -71.87 -33.2 68.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.658 -1.276 . . . . 0.0 110.046 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 46.8 t -72.2 -10.78 60.23 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.058 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.4 t -82.96 -35.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.797 -0.564 . . . . 0.0 109.972 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.743 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.3 m-30 -50.13 -26.03 4.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.985 -1.072 . . . . 0.0 110.3 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.71 -30.09 71.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.193 -0.942 . . . . 0.0 110.374 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.819 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.7 22.8 0.86 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER 77.83 40.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.971 -1.08 . . . . 0.0 109.934 179.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.058 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.08 63.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.014 -1.054 . . . . 0.0 110.083 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.2 t0 40.3 76.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 110.073 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.743 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.7 pt -61.51 127.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.015 -1.053 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -116.09 78.84 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.935 -1.103 . . . . 0.0 109.765 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.545 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.7 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -60.07 -56.99 14.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.123 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.31 119.85 18.12 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.547 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.97 -14.18 3.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.127 -0.983 . . . . 0.0 111.672 -178.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' MET . 7.4 ttp -85.42 -6.77 59.19 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.545 -1.347 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.586 ' O ' HG21 ' A' ' 12' ' ' VAL . 2.0 t70 -62.74 -163.35 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.742 -1.224 . . . . 0.0 109.484 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 3.9 mmpt? -117.83 -74.35 0.61 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.307 -0.87 . . . . 0.0 109.939 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 20.0 mt-10 -71.61 -32.96 68.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.585 -1.322 . . . . 0.0 110.033 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.2 t -72.26 -11.89 60.91 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.048 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.9 t -81.65 -33.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.781 -0.574 . . . . 0.0 109.997 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.768 ' HB3' HG22 ' A' ' 19' ' ' ILE . 16.4 m-30 -50.26 -24.68 3.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.021 -1.049 . . . . 0.0 110.053 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.86 -30.62 71.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 110.341 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.87 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.71 22.91 0.85 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.06 -1.025 . . . . 0.0 110.267 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 29.0 t60 78.59 40.82 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.027 -1.046 . . . . 0.0 110.075 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.048 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.29 63.61 0.61 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.032 -1.042 . . . . 0.0 110.118 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.4 t0 40.57 77.63 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 110.036 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.52 127.48 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.069 . . . . 0.0 109.35 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.5 mm -116.53 80.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 109.768 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.838 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 15.4 t -50.76 -50.26 56.18 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.05 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.86 116.16 22.48 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.18 -15.88 28.04 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.055 -1.028 . . . . 0.0 111.719 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.53 ' CG ' ' O ' ' A' ' 7' ' ' MET . 1.5 ttp -102.28 29.13 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.846 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.602 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.3 t0 -80.16 -167.53 1.34 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.518 -1.364 . . . . 0.0 109.189 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 5.7 mmpt? -105.84 -76.85 0.6 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.9 mt-10 -77.77 -32.3 52.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.537 -1.352 . . . . 0.0 109.584 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.6 t -66.08 -17.95 65.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.123 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.5 t -81.3 -35.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.157 0.503 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.726 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.8 m-85 -61.01 -23.96 65.8 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.106 -0.996 . . . . 0.0 109.601 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.2 m-30 -66.59 -28.34 68.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 110.259 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.33 23.23 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.129 . . . . 0.0 110.32 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.5 42.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.031 -1.043 . . . . 0.0 110.026 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.123 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.82 63.59 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.944 -1.097 . . . . 0.0 109.958 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.1 t0 39.76 74.49 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.504 -0.747 . . . . 0.0 109.978 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.5 pt -59.31 127.54 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.038 -1.039 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.8 mm -115.75 78.73 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.739 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.583 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.1 t . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 17.0 t -44.23 -52.68 7.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 0.0 109.156 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.26 117.01 19.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 108.936 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -59.99 -14.66 17.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.047 -1.033 . . . . 0.0 111.611 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.477 ' O ' ' HG2' ' A' ' 7' ' ' MET . 10.4 ttt -88.22 -3.68 58.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.415 -1.428 . . . . 0.0 110.686 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.3 t0 -55.45 -165.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.937 -1.102 . . . . 0.0 109.427 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 3.2 mmmt -116.43 -77.65 0.57 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.186 -0.946 . . . . 0.0 109.919 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.4 mt-10 -72.62 -31.79 65.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.485 -1.384 . . . . 0.0 109.207 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.0 t -67.23 -18.34 65.19 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.118 ' CG1' HD22 ' A' ' 17' ' ' LEU . 5.4 t -80.78 -34.86 14.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.183 0.516 . . . . 0.0 109.85 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.716 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.7 m-85 -60.98 -22.61 64.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.1 m-30 -67.34 -28.58 68.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 110.202 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.85 23.32 0.83 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.791 -1.193 . . . . 0.0 110.324 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 76.99 41.99 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.103 . . . . 0.0 109.72 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.118 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.08 63.42 0.6 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.003 -1.06 . . . . 0.0 109.943 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 13.0 t70 39.78 75.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.47 -0.769 . . . . 0.0 110.061 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.716 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.3 pt -59.96 127.46 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.045 -1.035 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.9 mm -115.81 78.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.924 -1.11 . . . . 0.0 109.738 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.613 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t -59.97 -57.11 14.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -0.929 . . . . 0.0 109.084 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.48 119.84 17.92 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.83 -14.35 3.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.042 -1.036 . . . . 0.0 111.564 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.487 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.56 -6.74 59.14 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.61 -1.306 . . . . 0.0 110.714 -179.147 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.553 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.1 t0 -62.45 -159.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.735 -1.228 . . . . 0.0 109.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.1 mmmt -121.76 -75.61 0.59 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.851 . . . . 0.0 109.836 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 16.5 mt-10 -70.48 -32.32 69.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.674 -1.266 . . . . 0.0 109.915 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 50.2 t -73.51 -12.39 60.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.044 ' O ' HD23 ' A' ' 17' ' ' LEU . 14.3 t -81.15 -32.56 12.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.824 -0.548 . . . . 0.0 110.008 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.774 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.1 m-30 -51.0 -24.29 3.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.023 -1.048 . . . . 0.0 109.968 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.3 m-30 -64.09 -30.75 71.8 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 110.279 -179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.862 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.64 23.09 0.82 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.078 . . . . 0.0 110.28 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER 78.64 40.69 0.11 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 0.0 110.032 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.044 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.09 63.94 0.62 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.01 -1.056 . . . . 0.0 110.114 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 6.8 p-10 39.9 77.0 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.302 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.774 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.7 pt -62.8 127.41 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.971 -1.081 . . . . 0.0 109.397 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.2 mm -116.18 78.93 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.988 -1.07 . . . . 0.0 109.752 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.626 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.597 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 t -57.7 -57.06 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.074 -1.017 . . . . 0.0 109.073 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.13 118.77 20.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -56.1 -15.21 3.33 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.016 -1.053 . . . . 0.0 111.546 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 8' ' ' ASP . 54.5 ttm -87.77 -4.63 58.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.534 -1.354 . . . . 0.0 110.691 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.504 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 9.9 t0 -57.92 -159.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.89 -1.131 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -123.49 -76.14 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.332 -0.855 . . . . 0.0 109.502 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -72.12 -30.74 65.36 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.627 -1.296 . . . . 0.0 108.998 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.5 t -72.81 -13.09 61.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.072 ' O ' HD23 ' A' ' 17' ' ' LEU . 12.1 t -81.73 -34.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.766 -0.584 . . . . 0.0 110.04 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.737 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.7 m-30 -50.79 -25.83 4.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.952 -1.093 . . . . 0.0 110.232 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -63.86 -30.18 71.29 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 110.43 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.827 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.53 22.85 0.82 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.975 -1.078 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.1 t-80 77.64 40.71 0.15 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 109.934 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.072 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.9 63.29 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.0 -1.063 . . . . 0.0 110.111 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.22 76.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.462 -0.774 . . . . 0.0 109.981 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.737 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -61.14 127.25 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.984 -1.072 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -116.21 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.953 -1.092 . . . . 0.0 109.792 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.517 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -58.26 -57.09 14.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.121 -0.987 . . . . 0.0 109.015 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.1 119.41 17.81 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -56.89 -14.65 3.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.02 -1.05 . . . . 0.0 111.576 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.5 ttp -85.79 -6.56 59.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.517 -1.364 . . . . 0.0 110.736 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.56 ' O ' HG21 ' A' ' 12' ' ' VAL . 3.4 t70 -61.04 -159.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.865 -1.147 . . . . 0.0 109.487 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.3 mmmm -121.97 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.339 -0.85 . . . . 0.0 109.813 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.575 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 8.9 mt-10 -70.54 -32.41 69.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.609 -1.307 . . . . 0.0 109.824 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 45.3 t -73.55 -11.4 60.43 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.056 ' O ' HD23 ' A' ' 17' ' ' LEU . 16.8 t -82.76 -32.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.711 -0.618 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.768 ' HB3' HG22 ' A' ' 19' ' ' ILE . 14.7 m-30 -50.54 -24.95 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.971 -1.081 . . . . 0.0 109.995 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.0 m-30 -63.23 -30.59 71.71 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.201 -0.937 . . . . 0.0 110.126 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.867 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.74 22.59 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.036 -1.04 . . . . 0.0 110.256 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.2 t60 78.39 41.03 0.12 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.159 -0.963 . . . . 0.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.056 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.2 63.52 0.61 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.52 77.72 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.431 -0.793 . . . . 0.0 110.101 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.14 127.47 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.068 -1.02 . . . . 0.0 109.317 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.2 mm -116.41 78.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.986 -1.071 . . . . 0.0 109.747 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.633 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.606 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.522 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.5 t -57.89 -57.09 14.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.082 -1.011 . . . . 0.0 109.028 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.14 119.03 21.33 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -57.45 -15.02 5.71 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.018 -1.051 . . . . 0.0 111.525 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 8' ' ' ASP . 28.2 ttt -87.2 -4.66 59.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.495 -1.378 . . . . 0.0 110.683 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 7' ' ' MET . 3.7 t0 -57.69 -159.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.828 -1.17 . . . . 0.0 109.528 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 14.4 mmmt -120.07 -77.68 0.58 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -0.904 . . . . 0.0 109.799 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.9 mt-10 -73.68 -31.24 63.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.412 -1.43 . . . . 0.0 109.043 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t -66.53 -19.9 65.89 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.127 ' CG1' HD22 ' A' ' 17' ' ' LEU . 3.8 t -76.96 -33.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.735 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.4 m-85 -61.52 -29.89 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.18 -0.95 . . . . 0.0 109.477 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 m-30 -63.76 -25.39 68.17 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.421 -0.799 . . . . 0.0 110.023 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 45.7 m -81.87 17.7 1.47 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.041 -1.037 . . . . 0.0 110.199 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 8.8 t-160 79.82 41.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.137 -0.977 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.127 HD22 ' CG1' ' A' ' 12' ' ' VAL . 5.7 mp -109.05 63.56 0.6 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.056 -1.027 . . . . 0.0 110.04 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 6.7 p-10 39.51 72.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.594 -0.691 . . . . 0.0 110.066 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.735 HG22 ' HB3' ' A' ' 13' ' ' TYR . 5.4 pt -55.48 127.62 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.004 -1.06 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.6 mm -115.44 78.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.825 -1.172 . . . . 0.0 109.703 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.561 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 2.5 t . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -57.71 -57.26 13.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.144 -0.972 . . . . 0.0 109.037 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.34 16.4 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -55.68 -15.0 2.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.038 -1.039 . . . . 0.0 111.556 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -85.56 -6.54 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.497 -1.377 . . . . 0.0 110.66 -179.26 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.624 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.6 t0 -61.55 -166.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.739 -1.225 . . . . 0.0 109.575 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 5.1 mmpt? -114.54 -74.26 0.62 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -0.831 . . . . 0.0 109.768 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.99 -33.73 68.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.573 -1.329 . . . . 0.0 109.886 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.1 t -71.51 -8.68 55.47 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.119 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 t -86.04 -35.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.719 -0.613 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.749 ' HB3' HG22 ' A' ' 19' ' ' ILE . 20.6 m-85 -57.6 -24.17 54.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.999 -1.063 . . . . 0.0 109.991 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -64.99 -28.24 69.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 110.035 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.99 21.99 0.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.092 . . . . 0.0 110.302 179.711 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.72 41.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.078 -1.014 . . . . 0.0 109.924 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.119 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.4 mp -108.92 63.79 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 O-C-N 121.021 -1.049 . . . . 0.0 109.991 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.0 t0 40.37 76.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.469 -0.77 . . . . 0.0 110.079 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.749 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.1 pt -60.95 127.36 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 109.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.9 mm -115.78 78.77 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.847 -1.158 . . . . 0.0 109.762 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.603 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.6 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -59.52 -57.07 14.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 119.71 18.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.524 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.92 -14.67 3.74 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.972 -1.08 . . . . 0.0 111.529 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.481 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.8 ttm -85.7 -6.6 59.11 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.519 -1.363 . . . . 0.0 110.714 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.567 ' O ' HG21 ' A' ' 12' ' ' VAL . 12.1 t0 -61.42 -160.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.849 -1.157 . . . . 0.0 109.56 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 mmmt -121.06 -75.73 0.59 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 109.795 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 9.4 mt-10 -70.24 -32.44 70.3 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.632 -1.292 . . . . 0.0 109.872 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 43.8 t -73.31 -11.59 60.55 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.054 ' O ' HD23 ' A' ' 17' ' ' LEU . 17.6 t -83.45 -32.86 9.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.81 -0.556 . . . . 0.0 110.188 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.755 ' HB3' HG22 ' A' ' 19' ' ' ILE . 13.0 m-30 -50.86 -25.53 4.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 0.0 110.114 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.1 m-30 -63.3 -30.11 71.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.172 -0.955 . . . . 0.0 110.296 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.857 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.57 22.12 0.91 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.052 -1.03 . . . . 0.0 110.214 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 m-70 78.08 41.01 0.13 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.881 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.054 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.7 mm? -107.9 63.62 0.62 Allowed 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.998 -1.064 . . . . 0.0 110.071 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 40.02 76.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.476 -0.765 . . . . 0.0 110.14 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.755 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -60.73 127.1 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 120.983 -1.073 . . . . 0.0 109.313 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -116.05 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.993 -1.067 . . . . 0.0 109.81 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.618 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t -57.35 -57.04 14.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 109.086 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.11 119.61 14.91 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.56 -14.98 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.993 -1.067 . . . . 0.0 111.349 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' ASP . 7.6 tpt -83.45 -9.22 59.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.622 -1.299 . . . . 0.0 110.43 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 11.4 t0 -58.6 -153.64 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.138 . . . . 0.0 109.633 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 9.2 mmmt -129.69 -76.49 0.54 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.254 -0.904 . . . . 0.0 109.808 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.75 -31.09 67.79 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.679 -1.263 . . . . 0.0 109.076 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.5 t -74.47 -11.39 60.21 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.073 ' O ' HD23 ' A' ' 17' ' ' LEU . 15.0 t -82.12 -33.75 11.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.77 -0.581 . . . . 0.0 110.143 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.732 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.3 m-30 -50.89 -25.36 4.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.02 -1.05 . . . . 0.0 110.155 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.3 m-85 -64.63 -30.13 71.14 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 110.46 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.829 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.49 22.86 0.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.076 -1.015 . . . . 0.0 110.392 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.8 t-80 77.41 40.75 0.16 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.073 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.67 63.24 0.62 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.952 -1.092 . . . . 0.0 110.1 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t70 39.92 75.36 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.464 -0.773 . . . . 0.0 109.959 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -59.88 127.24 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.023 -1.048 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -117.38 80.94 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.907 -1.121 . . . . 0.0 109.724 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.0 t . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -58.11 -57.1 14.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.151 -0.968 . . . . 0.0 109.116 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.08 119.51 15.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -56.07 -15.07 3.09 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.033 -1.042 . . . . 0.0 111.524 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.8 ttm -85.37 -6.66 59.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.534 -1.354 . . . . 0.0 110.589 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.575 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.5 t0 -62.25 -160.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.793 -1.192 . . . . 0.0 109.603 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.5 mmmt -120.65 -75.72 0.59 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.279 -0.888 . . . . 0.0 109.925 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.586 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 mt-10 -70.15 -32.79 70.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.567 -1.333 . . . . 0.0 110.065 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.1 t -74.13 -8.81 57.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.061 ' O ' HD23 ' A' ' 17' ' ' LEU . 13.3 t -85.09 -35.84 10.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.797 -0.564 . . . . 0.0 110.249 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.878 ' HB3' HG22 ' A' ' 19' ' ' ILE . 8.4 m-30 -52.87 -22.33 5.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.961 -1.087 . . . . 0.0 110.238 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.2 m-85 -69.1 -29.83 68.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 0.0 110.974 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.855 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -81.65 25.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.876 -1.14 . . . . 0.0 110.497 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER 77.45 39.64 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.968 -1.082 . . . . 0.0 109.951 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.061 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.8 mm? -106.08 64.37 0.68 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.047 -1.033 . . . . 0.0 109.757 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.9 p-10 39.83 74.61 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.466 -0.771 . . . . 0.0 110.267 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.878 HG22 ' HB3' ' A' ' 13' ' ' TYR . 1.3 pt -66.55 60.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 20' ' ' ILE . 6.7 tp -79.53 64.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 120.862 -1.149 . . . . 0.0 110.106 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 109.571 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 4' ' ' SER . 9.2 t . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.509 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -41.67 -55.62 2.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.302 -0.873 . . . . 0.0 109.403 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.34 114.44 24.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.98 -17.56 18.06 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.063 -1.023 . . . . 0.0 111.842 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.2 ttt -87.32 -5.24 58.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.438 -1.414 . . . . 0.0 110.468 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.596 ' O ' HG21 ' A' ' 12' ' ' VAL . 15.9 t0 -49.36 178.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.071 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 6.7 mmpt? -109.68 -76.09 0.62 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.464 -0.772 . . . . 0.0 109.656 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.7 mt-10 -73.66 -32.67 64.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.517 -1.364 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 14.7 t -66.5 -17.85 65.03 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.038 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.1 t -80.79 -37.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.715 ' HB3' HG22 ' A' ' 19' ' ' ILE . 22.5 m-85 -59.52 -19.31 47.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 4.7 m-30 -71.67 -31.16 66.51 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 111.037 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.699 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.27 26.98 0.43 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.75 -1.219 . . . . 0.0 110.676 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 76.99 40.67 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.786 -1.196 . . . . 0.0 109.505 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.038 HD23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mm? -106.31 62.44 0.65 Allowed 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 17.6 t0 37.85 73.81 0.09 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.613 -0.679 . . . . 0.0 110.327 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.715 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.2 pt -66.21 127.6 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.015 -1.053 . . . . 0.0 109.311 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -117.13 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.903 -1.123 . . . . 0.0 109.817 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.833 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.511 ' SG ' ' N ' ' A' ' 4' ' ' SER . 8.3 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.511 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.3 t -63.5 -56.61 14.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 0.0 109.383 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 119.18 20.65 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.528 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -56.63 -15.24 4.09 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.923 -1.111 . . . . 0.0 111.577 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.466 ' O ' ' HG2' ' A' ' 7' ' ' MET . 7.7 ttt -87.78 -4.47 58.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.531 -1.355 . . . . 0.0 110.687 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.6 t70 -59.17 -153.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.861 -1.15 . . . . 0.0 109.498 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 10.2 mmmt -128.58 -76.65 0.56 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.396 -0.815 . . . . 0.0 109.493 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.54 -30.71 66.2 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.589 -1.319 . . . . 0.0 108.887 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.4 t -72.05 -15.63 62.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.061 ' O ' HD23 ' A' ' 17' ' ' LEU . 15.4 t -79.74 -32.49 14.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.824 -0.547 . . . . 0.0 109.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.751 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.1 m-30 -51.2 -25.86 6.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 0.0 110.132 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.6 m-30 -63.1 -30.6 71.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.88 . . . . 0.0 110.281 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.831 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.86 23.11 0.7 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 t-160 77.94 40.03 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.958 -1.089 . . . . 0.0 109.952 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.061 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.7 mm? -107.73 63.8 0.62 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.108 -0.995 . . . . 0.0 110.007 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 39.73 76.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.472 -0.768 . . . . 0.0 110.212 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.751 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -62.47 127.45 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 120.914 -1.116 . . . . 0.0 109.318 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -116.11 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.961 -1.087 . . . . 0.0 109.748 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.53 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 14.0 t . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.346 0.593 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.43 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 p -177.35 98.47 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.294 -0.879 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.5 t -118.91 161.74 19.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.196 -0.94 . . . . 0.0 108.914 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -52.34 -57.35 10.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.952 . . . . 0.0 109.188 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.52 118.46 25.82 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.437 -0.79 . . . . 0.0 108.869 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -58.73 -16.12 15.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.042 -1.037 . . . . 0.0 111.496 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.4 ttm -86.28 -5.91 59.08 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.426 -1.421 . . . . 0.0 110.553 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' O ' HG21 ' A' ' 12' ' ' VAL . 8.5 t0 -52.49 -174.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.905 -1.122 . . . . 0.0 109.549 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.2 -76.4 0.61 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -73.8 -32.91 63.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.612 -1.305 . . . . 0.0 109.278 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 19.9 t -65.92 -17.79 64.9 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.132 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.3 t -81.46 -35.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-O 121.152 0.501 . . . . 0.0 109.95 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.711 ' HB3' HG22 ' A' ' 19' ' ' ILE . 23.3 m-85 -61.92 -23.66 66.48 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.1 -1.0 . . . . 0.0 109.665 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.1 m-30 -67.48 -27.54 67.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 110.318 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.76 22.91 1.04 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.856 -1.152 . . . . 0.0 110.294 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.4 m-70 77.27 42.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.997 -1.065 . . . . 0.0 109.987 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.132 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.5 mp -108.94 63.08 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 120.999 -1.063 . . . . 0.0 109.995 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.1 t70 39.49 72.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.446 -0.784 . . . . 0.0 110.001 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.711 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.5 pt -56.87 127.21 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.176 -0.953 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.5 mm -115.14 78.56 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.858 -1.151 . . . . 0.0 109.74 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.583 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.94 100.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.973 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 4' ' ' SER . 6.6 t -114.33 161.49 17.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.909 . . . . 0.0 108.988 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.506 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.9 t -43.46 -57.88 2.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.38 117.09 26.05 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 108.992 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -60.33 -15.45 25.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.064 -1.022 . . . . 0.0 111.659 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' MET . 4.1 ttm -87.57 -5.12 58.9 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.382 -1.449 . . . . 0.0 110.583 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.634 ' O ' HG21 ' A' ' 12' ' ' VAL . 4.6 t70 -51.83 -175.1 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.908 -1.12 . . . . 0.0 109.498 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HE2' ' O ' ' A' ' 8' ' ' ASP . 6.6 mmpt? -109.04 -75.88 0.62 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.285 -0.884 . . . . 0.0 109.865 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.7 mt-10 -74.04 -32.65 63.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.579 -1.326 . . . . 0.0 109.404 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 8.5 t -66.49 -18.39 65.33 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.073 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.9 t -81.99 -35.96 13.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.722 ' HB3' HG22 ' A' ' 19' ' ' ILE . 18.8 m-30 -53.35 -23.85 10.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.118 -0.988 . . . . 0.0 110.074 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 4.0 m-30 -66.03 -30.93 71.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.251 -0.905 . . . . 0.0 110.433 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.819 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.39 25.01 0.64 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.948 -1.095 . . . . 0.0 110.529 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.55 40.76 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.943 -1.098 . . . . 0.0 109.834 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.073 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.9 mm? -108.04 63.51 0.62 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.012 -1.055 . . . . 0.0 110.015 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.1 p-10 38.9 74.71 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.508 -0.745 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.722 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -61.18 127.2 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 109.388 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.8 mm -116.1 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.124 . . . . 0.0 109.674 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.705 ' SG ' HD11 ' A' ' 6' ' ' LEU . 18.6 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -135.67 79.27 1.77 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.891 . . . . 0.0 109.622 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.4 t -139.92 161.64 37.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.002 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.523 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -57.99 -56.89 16.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 109.108 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.64 119.57 23.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.705 HD11 ' SG ' ' A' ' 1' ' ' CYS . 6.9 mp -58.01 -14.74 7.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.014 -1.054 . . . . 0.0 111.507 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.475 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.5 ttt -86.53 -5.92 59.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.413 -1.429 . . . . 0.0 110.688 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.622 ' O ' HG21 ' A' ' 12' ' ' VAL . 12.8 t0 -56.96 -171.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.788 -1.195 . . . . 0.0 109.697 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 6.8 mmpt? -110.48 -75.93 0.61 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 109.823 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.1 mt-10 -73.89 -32.92 63.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.502 -1.373 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 38.0 t -66.02 -19.17 65.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.125 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 t -78.67 -33.63 16.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.63 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.728 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.9 m-85 -61.68 -30.3 70.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.198 -0.939 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.7 m-30 -63.11 -25.53 68.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 110.08 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 60.2 m -81.84 17.55 1.49 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.112 -0.993 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 18.3 m-70 79.97 41.27 0.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.203 -0.936 . . . . 0.0 110.073 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.125 HD22 ' CG1' ' A' ' 12' ' ' VAL . 5.9 mp -109.57 63.56 0.6 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.878 -1.139 . . . . 0.0 110.059 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t0 39.79 72.89 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.934 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.728 HG22 ' HB3' ' A' ' 13' ' ' TYR . 5.5 pt -56.15 127.66 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.994 -1.066 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.6 mm -115.49 78.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.606 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -162.93 92.35 0.76 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.192 -0.943 . . . . 0.0 109.723 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t -140.36 161.61 37.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 0.0 108.84 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 t -57.88 -57.02 14.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.06 -1.025 . . . . 0.0 109.078 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.83 119.46 16.04 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.543 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.1 mp -55.25 -15.6 2.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.01 -1.056 . . . . 0.0 111.466 -178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.482 ' O ' ' HG3' ' A' ' 7' ' ' MET . 6.2 ttp -85.8 -6.29 59.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.569 -1.332 . . . . 0.0 110.631 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.4 t70 -59.02 -152.57 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.615 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.8 mmmt -130.38 -76.59 0.53 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.29 -31.23 67.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.607 -1.308 . . . . 0.0 109.123 179.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.9 t -74.47 -11.64 60.28 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.081 ' O ' HD23 ' A' ' 17' ' ' LEU . 13.7 t -81.51 -33.85 12.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.825 -0.547 . . . . 0.0 109.958 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.744 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.6 m-85 -51.15 -25.4 5.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.014 -1.054 . . . . 0.0 110.245 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -64.47 -30.25 71.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.0 110.423 -179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.826 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.42 23.29 0.77 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.116 -0.99 . . . . 0.0 110.442 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 7.6 m-70 77.48 40.54 0.16 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.87 -1.144 . . . . 0.0 109.931 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.081 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.85 63.45 0.62 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.066 -1.021 . . . . 0.0 110.066 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.1 t70 39.94 75.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.437 -0.79 . . . . 0.0 110.105 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.744 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -61.06 127.3 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 120.987 -1.071 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -115.76 78.82 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.948 -1.095 . . . . 0.0 109.764 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.549 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -165.81 93.81 0.56 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.213 -0.929 . . . . 0.0 109.696 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.2 t -134.24 161.37 35.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.338 -0.851 . . . . 0.0 108.909 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -59.37 -57.15 14.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.154 -0.966 . . . . 0.0 109.106 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.99 119.62 18.18 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.24 -15.2 3.51 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.027 -1.046 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.48 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.0 ttt -86.19 -6.14 59.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.498 -1.376 . . . . 0.0 110.571 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.8 t0 -58.7 -158.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.851 -1.156 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HA ' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -121.37 -76.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.31 -0.868 . . . . 0.0 110.037 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.25 -31.37 64.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.368 -1.457 . . . . 0.0 109.088 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.8 t -66.76 -19.63 65.79 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.119 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.6 t -78.08 -32.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-O 121.277 0.56 . . . . 0.0 109.633 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.877 ' HB3' HG22 ' A' ' 19' ' ' ILE . 11.5 m-30 -59.6 -23.02 62.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.293 -0.879 . . . . 0.0 109.855 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.7 m-30 -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 110.666 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -81.74 25.47 0.54 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.793 -1.192 . . . . 0.0 110.601 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.6 t60 77.21 39.55 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.861 -1.149 . . . . 0.0 109.946 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.119 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.2 mp -109.29 64.85 0.61 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.098 -1.001 . . . . 0.0 109.687 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.7 t70 41.98 78.07 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.48 -0.763 . . . . 0.0 109.831 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.877 HG22 ' HB3' ' A' ' 13' ' ' TYR . 1.4 pt -66.03 60.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.105 -0.997 . . . . 0.0 109.934 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 20' ' ' ILE . 6.6 tp -79.06 64.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.935 -1.103 . . . . 0.0 110.087 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 O-C-N 120.838 -1.164 . . . . 0.0 109.584 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.1 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.499 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 1.7 m 173.19 102.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.554 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -146.84 161.46 40.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 109.02 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 t -57.93 -57.17 13.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.042 -1.037 . . . . 0.0 108.999 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.5 119.56 17.57 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.77 -14.93 2.61 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.027 -1.046 . . . . 0.0 111.52 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.484 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.5 ttp -86.49 -5.85 59.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.494 -1.379 . . . . 0.0 110.713 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 8.6 t0 -59.17 -151.9 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.833 -1.167 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -130.9 -76.73 0.53 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.392 -0.817 . . . . 0.0 109.638 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -71.05 -31.1 67.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.645 -1.284 . . . . 0.0 109.044 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 52.1 t -75.18 -12.45 60.3 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.045 ' O ' HD23 ' A' ' 17' ' ' LEU . 20.7 t -80.38 -31.6 13.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.833 -0.542 . . . . 0.0 110.057 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.777 ' HB3' HG22 ' A' ' 19' ' ' ILE . 14.0 m-30 -50.63 -24.95 3.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.093 -1.004 . . . . 0.0 110.022 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.8 m-85 -63.25 -30.62 71.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.868 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.82 22.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.044 -1.035 . . . . 0.0 110.252 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER 78.58 41.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.129 -0.982 . . . . 0.0 110.016 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.48 63.76 0.61 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.97 -1.082 . . . . 0.0 110.232 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' LEU . 9.7 t70 40.66 78.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 110.064 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.777 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.74 127.6 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.003 -1.061 . . . . 0.0 109.361 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.3 mm -116.56 79.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.886 -1.134 . . . . 0.0 109.706 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.629 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.567 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m -162.91 92.48 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.1 t -137.38 161.75 35.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.286 -0.884 . . . . 0.0 108.877 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.514 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -58.23 -56.91 16.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.12 119.22 18.61 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -57.09 -14.72 4.14 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.05 -1.031 . . . . 0.0 111.632 -178.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.45 ' O ' ' HG2' ' A' ' 7' ' ' MET . 47.6 ttm -86.16 -5.33 59.22 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.488 -1.383 . . . . 0.0 110.788 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.593 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.2 t0 -62.81 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 109.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 4.3 mmpt? -116.8 -74.47 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.0 109.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 14.8 mt-10 -71.87 -33.2 68.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.658 -1.276 . . . . 0.0 110.046 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 46.8 t -72.2 -10.78 60.23 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.058 ' O ' HD23 ' A' ' 17' ' ' LEU . 6.4 t -82.96 -35.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.797 -0.564 . . . . 0.0 109.972 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.743 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.3 m-30 -50.13 -26.03 4.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.985 -1.072 . . . . 0.0 110.3 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.71 -30.09 71.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.193 -0.942 . . . . 0.0 110.374 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.819 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.7 22.8 0.86 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER 77.83 40.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.971 -1.08 . . . . 0.0 109.934 179.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.058 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.08 63.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.014 -1.054 . . . . 0.0 110.083 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.2 t0 40.3 76.38 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.497 -0.752 . . . . 0.0 110.073 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.743 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.7 pt -61.51 127.28 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.015 -1.053 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -116.09 78.84 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.935 -1.103 . . . . 0.0 109.765 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.545 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.6 t . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.493 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER 174.47 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.309 -0.869 . . . . 0.0 109.51 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.7 t -145.16 161.23 40.0 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 0.0 109.048 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -60.07 -56.99 14.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.123 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.31 119.85 18.12 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.547 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.97 -14.18 3.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.127 -0.983 . . . . 0.0 111.672 -178.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' MET . 7.4 ttp -85.42 -6.77 59.19 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.545 -1.347 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.586 ' O ' HG21 ' A' ' 12' ' ' VAL . 2.0 t70 -62.74 -163.35 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.742 -1.224 . . . . 0.0 109.484 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 3.9 mmpt? -117.83 -74.35 0.61 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.307 -0.87 . . . . 0.0 109.939 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 20.0 mt-10 -71.61 -32.96 68.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.585 -1.322 . . . . 0.0 110.033 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 48.2 t -72.26 -11.89 60.91 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.048 ' O ' HD23 ' A' ' 17' ' ' LEU . 7.9 t -81.65 -33.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.781 -0.574 . . . . 0.0 109.997 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.768 ' HB3' HG22 ' A' ' 19' ' ' ILE . 16.4 m-30 -50.26 -24.68 3.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.021 -1.049 . . . . 0.0 110.053 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -63.86 -30.62 71.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 110.341 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.87 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.71 22.91 0.85 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.06 -1.025 . . . . 0.0 110.267 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 29.0 t60 78.59 40.82 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.027 -1.046 . . . . 0.0 110.075 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.048 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.29 63.61 0.61 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.032 -1.042 . . . . 0.0 110.118 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.4 t0 40.57 77.63 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 110.036 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.52 127.48 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.069 . . . . 0.0 109.35 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.5 mm -116.53 80.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 109.768 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.838 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 19.5 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.326 0.584 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 172.24 102.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -119.93 161.51 20.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.165 -0.959 . . . . 0.0 108.91 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 15.4 t -50.76 -50.26 56.18 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.05 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.86 116.16 22.48 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.18 -15.88 28.04 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.055 -1.028 . . . . 0.0 111.719 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.53 ' CG ' ' O ' ' A' ' 7' ' ' MET . 1.5 ttp -102.28 29.13 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.846 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.602 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.3 t0 -80.16 -167.53 1.34 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.518 -1.364 . . . . 0.0 109.189 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 5.7 mmpt? -105.84 -76.85 0.6 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.9 mt-10 -77.77 -32.3 52.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.537 -1.352 . . . . 0.0 109.584 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.6 t -66.08 -17.95 65.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.123 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.5 t -81.3 -35.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.157 0.503 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.726 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.8 m-85 -61.01 -23.96 65.8 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.106 -0.996 . . . . 0.0 109.601 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.2 m-30 -66.59 -28.34 68.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 110.259 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -83.33 23.23 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.129 . . . . 0.0 110.32 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.5 42.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.031 -1.043 . . . . 0.0 110.026 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.123 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.82 63.59 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.944 -1.097 . . . . 0.0 109.958 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.1 t0 39.76 74.49 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.504 -0.747 . . . . 0.0 109.978 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.5 pt -59.31 127.54 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.038 -1.039 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.8 mm -115.75 78.73 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.739 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.583 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.535 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 19.0 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 1.7 t 163.87 120.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.33 -0.856 . . . . 0.0 109.601 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.1 t -113.3 161.57 17.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 108.767 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 17.0 t -44.23 -52.68 7.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 0.0 109.156 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.26 117.01 19.17 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 108.936 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -59.99 -14.66 17.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.047 -1.033 . . . . 0.0 111.611 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.477 ' O ' ' HG2' ' A' ' 7' ' ' MET . 10.4 ttt -88.22 -3.68 58.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.415 -1.428 . . . . 0.0 110.686 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 7' ' ' MET . 4.3 t0 -55.45 -165.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.937 -1.102 . . . . 0.0 109.427 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 3.2 mmmt -116.43 -77.65 0.57 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.186 -0.946 . . . . 0.0 109.919 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 4.4 mt-10 -72.62 -31.79 65.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.485 -1.384 . . . . 0.0 109.207 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 11.0 t -67.23 -18.34 65.19 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.118 ' CG1' HD22 ' A' ' 17' ' ' LEU . 5.4 t -80.78 -34.86 14.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.183 0.516 . . . . 0.0 109.85 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.716 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.7 m-85 -60.98 -22.61 64.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.1 m-30 -67.34 -28.58 68.09 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 110.202 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -82.85 23.32 0.83 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.791 -1.193 . . . . 0.0 110.324 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 76.99 41.99 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.103 . . . . 0.0 109.72 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.118 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mp -109.08 63.42 0.6 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.003 -1.06 . . . . 0.0 109.943 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 13.0 t70 39.78 75.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.47 -0.769 . . . . 0.0 110.061 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.716 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.3 pt -59.96 127.46 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.045 -1.035 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.9 mm -115.81 78.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.924 -1.11 . . . . 0.0 109.738 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.613 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.4 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.499 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 11.3 p 174.11 101.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.354 -0.841 . . . . 0.0 109.606 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.9 t -145.89 161.16 40.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.211 -0.931 . . . . 0.0 109.095 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 t -59.97 -57.11 14.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -0.929 . . . . 0.0 109.084 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.48 119.84 17.92 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.83 -14.35 3.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.042 -1.036 . . . . 0.0 111.564 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.487 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.56 -6.74 59.14 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.61 -1.306 . . . . 0.0 110.714 -179.147 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.553 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.1 t0 -62.45 -159.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.735 -1.228 . . . . 0.0 109.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.1 mmmt -121.76 -75.61 0.59 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.851 . . . . 0.0 109.836 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 16.5 mt-10 -70.48 -32.32 69.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.674 -1.266 . . . . 0.0 109.915 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 50.2 t -73.51 -12.39 60.77 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.044 ' O ' HD23 ' A' ' 17' ' ' LEU . 14.3 t -81.15 -32.56 12.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.824 -0.548 . . . . 0.0 110.008 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.774 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.1 m-30 -51.0 -24.29 3.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.023 -1.048 . . . . 0.0 109.968 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.3 m-30 -64.09 -30.75 71.8 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.183 -0.948 . . . . 0.0 110.279 -179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.862 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.64 23.09 0.82 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.976 -1.078 . . . . 0.0 110.28 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER 78.64 40.69 0.11 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 0.0 110.032 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.044 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.09 63.94 0.62 Allowed 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.01 -1.056 . . . . 0.0 110.114 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 6.8 p-10 39.9 77.0 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.415 -0.803 . . . . 0.0 110.302 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.774 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.7 pt -62.8 127.41 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.971 -1.081 . . . . 0.0 109.397 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.2 mm -116.18 78.93 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.988 -1.07 . . . . 0.0 109.752 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.626 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.597 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -164.53 93.33 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.648 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.7 t -137.72 161.72 35.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -0.932 . . . . 0.0 108.904 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.512 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 t -57.7 -57.06 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.074 -1.017 . . . . 0.0 109.073 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.13 118.77 20.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -56.1 -15.21 3.33 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.016 -1.053 . . . . 0.0 111.546 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 8' ' ' ASP . 54.5 ttm -87.77 -4.63 58.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.534 -1.354 . . . . 0.0 110.691 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 9.9 t0 -57.92 -159.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.89 -1.131 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -123.49 -76.14 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.332 -0.855 . . . . 0.0 109.502 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -72.12 -30.74 65.36 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.627 -1.296 . . . . 0.0 108.998 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.5 t -72.81 -13.09 61.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.072 ' O ' HD23 ' A' ' 17' ' ' LEU . 12.1 t -81.73 -34.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.766 -0.584 . . . . 0.0 110.04 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.737 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.7 m-30 -50.79 -25.83 4.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.952 -1.093 . . . . 0.0 110.232 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.7 m-30 -63.86 -30.18 71.29 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 110.43 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.827 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.53 22.85 0.82 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.975 -1.078 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.1 t-80 77.64 40.71 0.15 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 109.934 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.072 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.9 63.29 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.0 -1.063 . . . . 0.0 110.111 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.22 76.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.462 -0.774 . . . . 0.0 109.981 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.737 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -61.14 127.25 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.984 -1.072 . . . . 0.0 109.386 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -116.21 78.97 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.953 -1.092 . . . . 0.0 109.792 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.517 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.4 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.505 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 1.9 m 173.9 102.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 0.0 109.538 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t -142.78 161.51 37.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.393 -0.817 . . . . 0.0 108.89 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 t -58.26 -57.09 14.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.121 -0.987 . . . . 0.0 109.015 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.1 119.41 17.81 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -56.89 -14.65 3.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.02 -1.05 . . . . 0.0 111.576 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.5 ttp -85.79 -6.56 59.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.517 -1.364 . . . . 0.0 110.736 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.56 ' O ' HG21 ' A' ' 12' ' ' VAL . 3.4 t70 -61.04 -159.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.865 -1.147 . . . . 0.0 109.487 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 8.3 mmmm -121.97 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.339 -0.85 . . . . 0.0 109.813 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.575 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 8.9 mt-10 -70.54 -32.41 69.84 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.609 -1.307 . . . . 0.0 109.824 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 45.3 t -73.55 -11.4 60.43 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.056 ' O ' HD23 ' A' ' 17' ' ' LEU . 16.8 t -82.76 -32.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.711 -0.618 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.768 ' HB3' HG22 ' A' ' 19' ' ' ILE . 14.7 m-30 -50.54 -24.95 3.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.971 -1.081 . . . . 0.0 109.995 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.0 m-30 -63.23 -30.59 71.71 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.201 -0.937 . . . . 0.0 110.126 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.867 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -82.74 22.59 0.88 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.036 -1.04 . . . . 0.0 110.256 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 9.2 t60 78.39 41.03 0.12 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.159 -0.963 . . . . 0.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.056 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -108.2 63.52 0.61 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.033 -1.042 . . . . 0.0 110.168 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 t70 40.52 77.72 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.431 -0.793 . . . . 0.0 110.101 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -63.14 127.47 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.068 -1.02 . . . . 0.0 109.317 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.2 mm -116.41 78.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.986 -1.071 . . . . 0.0 109.747 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.633 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.606 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.798 ' SG ' HD11 ' A' ' 6' ' ' LEU . 17.8 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.8 80.91 1.82 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.324 -0.86 . . . . 0.0 109.595 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.0 t -139.66 161.61 37.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 0.0 108.997 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.522 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.5 t -57.89 -57.09 14.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.082 -1.011 . . . . 0.0 109.028 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.14 119.03 21.33 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.798 HD11 ' SG ' ' A' ' 1' ' ' CYS . 6.8 mp -57.45 -15.02 5.71 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.018 -1.051 . . . . 0.0 111.525 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.457 ' O ' ' O ' ' A' ' 8' ' ' ASP . 28.2 ttt -87.2 -4.66 59.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.495 -1.378 . . . . 0.0 110.683 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 7' ' ' MET . 3.7 t0 -57.69 -159.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.828 -1.17 . . . . 0.0 109.528 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 14.4 mmmt -120.07 -77.68 0.58 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -0.904 . . . . 0.0 109.799 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.9 mt-10 -73.68 -31.24 63.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.412 -1.43 . . . . 0.0 109.043 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t -66.53 -19.9 65.89 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.127 ' CG1' HD22 ' A' ' 17' ' ' LEU . 3.8 t -76.96 -33.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.735 ' HB3' HG22 ' A' ' 19' ' ' ILE . 21.4 m-85 -61.52 -29.89 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.18 -0.95 . . . . 0.0 109.477 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 2.8 m-30 -63.76 -25.39 68.17 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.421 -0.799 . . . . 0.0 110.023 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 45.7 m -81.87 17.7 1.47 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.041 -1.037 . . . . 0.0 110.199 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 8.8 t-160 79.82 41.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.137 -0.977 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.127 HD22 ' CG1' ' A' ' 12' ' ' VAL . 5.7 mp -109.05 63.56 0.6 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.056 -1.027 . . . . 0.0 110.04 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 6.7 p-10 39.51 72.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.594 -0.691 . . . . 0.0 110.066 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.735 HG22 ' HB3' ' A' ' 13' ' ' TYR . 5.4 pt -55.48 127.62 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.004 -1.06 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.6 mm -115.44 78.59 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.825 -1.172 . . . . 0.0 109.703 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.561 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.15 93.46 0.61 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.242 -0.911 . . . . 0.0 109.818 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 4' ' ' SER . 2.5 t -137.32 161.56 35.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.89 . . . . 0.0 108.759 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.4 t -57.71 -57.26 13.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.144 -0.972 . . . . 0.0 109.037 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.34 16.4 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -55.68 -15.0 2.53 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.038 -1.039 . . . . 0.0 111.556 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -85.56 -6.54 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.497 -1.377 . . . . 0.0 110.66 -179.26 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.624 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.6 t0 -61.55 -166.79 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.739 -1.225 . . . . 0.0 109.575 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 8' ' ' ASP . 5.1 mmpt? -114.54 -74.26 0.62 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -0.831 . . . . 0.0 109.768 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.99 -33.73 68.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.573 -1.329 . . . . 0.0 109.886 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 44.1 t -71.51 -8.68 55.47 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.119 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 t -86.04 -35.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.719 -0.613 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.749 ' HB3' HG22 ' A' ' 19' ' ' ILE . 20.6 m-85 -57.6 -24.17 54.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.999 -1.063 . . . . 0.0 109.991 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 6.8 m-30 -64.99 -28.24 69.38 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 110.035 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -82.99 21.99 0.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.092 . . . . 0.0 110.302 179.711 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER 77.72 41.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.078 -1.014 . . . . 0.0 109.924 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.119 HD22 ' CG1' ' A' ' 12' ' ' VAL . 4.4 mp -108.92 63.79 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 O-C-N 121.021 -1.049 . . . . 0.0 109.991 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' LEU . 14.0 t0 40.37 76.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.469 -0.77 . . . . 0.0 110.079 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.749 HG22 ' HB3' ' A' ' 13' ' ' TYR . 4.1 pt -60.95 127.36 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 109.394 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 20' ' ' ILE . 10.9 mm -115.78 78.77 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.847 -1.158 . . . . 0.0 109.762 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.603 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 2' ' ' SER . 13.8 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.43 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 26.3 p -177.34 98.66 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 0.0 109.52 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 4.6 t -137.31 161.29 36.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 108.983 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 t -59.52 -57.07 14.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 119.71 18.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.524 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -56.92 -14.67 3.74 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.972 -1.08 . . . . 0.0 111.529 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.481 ' O ' ' HG3' ' A' ' 7' ' ' MET . 2.8 ttm -85.7 -6.6 59.11 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.519 -1.363 . . . . 0.0 110.714 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.567 ' O ' HG21 ' A' ' 12' ' ' VAL . 12.1 t0 -61.42 -160.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.849 -1.157 . . . . 0.0 109.56 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 mmmt -121.06 -75.73 0.59 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.349 -0.844 . . . . 0.0 109.795 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 9.4 mt-10 -70.24 -32.44 70.3 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.632 -1.292 . . . . 0.0 109.872 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 43.8 t -73.31 -11.59 60.55 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.054 ' O ' HD23 ' A' ' 17' ' ' LEU . 17.6 t -83.45 -32.86 9.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 O-C-N 121.81 -0.556 . . . . 0.0 110.188 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.755 ' HB3' HG22 ' A' ' 19' ' ' ILE . 13.0 m-30 -50.86 -25.53 4.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 0.0 110.114 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 7.1 m-30 -63.3 -30.11 71.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.172 -0.955 . . . . 0.0 110.296 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.857 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.57 22.12 0.91 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.052 -1.03 . . . . 0.0 110.214 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 m-70 78.08 41.01 0.13 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.088 -1.008 . . . . 0.0 109.881 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.054 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.7 mm? -107.9 63.62 0.62 Allowed 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.998 -1.064 . . . . 0.0 110.071 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 40.02 76.21 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.476 -0.765 . . . . 0.0 110.14 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.755 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -60.73 127.1 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 120.983 -1.073 . . . . 0.0 109.313 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -116.05 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.993 -1.067 . . . . 0.0 109.81 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.636 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.618 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.44 91.33 0.92 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.292 -0.88 . . . . 0.0 109.692 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.6 t -138.99 161.69 36.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 108.84 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.517 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.3 t -57.35 -57.04 14.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.946 . . . . 0.0 109.086 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.11 119.61 14.91 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 12' ' ' VAL . 7.0 mp -55.56 -14.98 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.993 -1.067 . . . . 0.0 111.349 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' ASP . 7.6 tpt -83.45 -9.22 59.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.622 -1.299 . . . . 0.0 110.43 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 11.4 t0 -58.6 -153.64 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.138 . . . . 0.0 109.633 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 9.2 mmmt -129.69 -76.49 0.54 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.254 -0.904 . . . . 0.0 109.808 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.75 -31.09 67.79 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.679 -1.263 . . . . 0.0 109.076 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.5 t -74.47 -11.39 60.21 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.073 ' O ' HD23 ' A' ' 17' ' ' LEU . 15.0 t -82.12 -33.75 11.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.77 -0.581 . . . . 0.0 110.143 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.732 ' HB3' HG22 ' A' ' 19' ' ' ILE . 15.3 m-30 -50.89 -25.36 4.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.02 -1.05 . . . . 0.0 110.155 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 8.3 m-85 -64.63 -30.13 71.14 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 110.46 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.829 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.49 22.86 0.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.076 -1.015 . . . . 0.0 110.392 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.8 t-80 77.41 40.75 0.16 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.073 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.6 mm? -107.67 63.24 0.62 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.952 -1.092 . . . . 0.0 110.1 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t70 39.92 75.36 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.464 -0.773 . . . . 0.0 109.959 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.6 pt -59.88 127.24 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.023 -1.048 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -117.38 80.94 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.907 -1.121 . . . . 0.0 109.724 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.15 91.86 0.81 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 4' ' ' SER . 3.0 t -134.19 161.64 34.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 0.0 108.774 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -58.11 -57.1 14.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.151 -0.968 . . . . 0.0 109.116 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.08 119.51 15.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 mp -56.07 -15.07 3.09 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.033 -1.042 . . . . 0.0 111.524 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' MET . 3.8 ttm -85.37 -6.66 59.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.534 -1.354 . . . . 0.0 110.589 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.575 ' O ' HG21 ' A' ' 12' ' ' VAL . 5.5 t0 -62.25 -160.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.793 -1.192 . . . . 0.0 109.603 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 4.5 mmmt -120.65 -75.72 0.59 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.279 -0.888 . . . . 0.0 109.925 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.586 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 mt-10 -70.15 -32.79 70.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.567 -1.333 . . . . 0.0 110.065 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 51.1 t -74.13 -8.81 57.49 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.061 ' O ' HD23 ' A' ' 17' ' ' LEU . 13.3 t -85.09 -35.84 10.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.797 -0.564 . . . . 0.0 110.249 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.878 ' HB3' HG22 ' A' ' 19' ' ' ILE . 8.4 m-30 -52.87 -22.33 5.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.961 -1.087 . . . . 0.0 110.238 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 12.2 m-85 -69.1 -29.83 68.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 0.0 110.974 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.855 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -81.65 25.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.876 -1.14 . . . . 0.0 110.497 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER 77.45 39.64 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.968 -1.082 . . . . 0.0 109.951 179.574 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.061 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.8 mm? -106.08 64.37 0.68 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.047 -1.033 . . . . 0.0 109.757 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 20' ' ' ILE . 6.9 p-10 39.83 74.61 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.466 -0.771 . . . . 0.0 110.267 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.878 HG22 ' HB3' ' A' ' 13' ' ' TYR . 1.3 pt -66.55 60.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 20' ' ' ILE . 6.7 tp -79.53 64.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 120.862 -1.149 . . . . 0.0 110.106 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 109.571 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 19.8 p . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.507 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER 172.13 101.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 4' ' ' SER . 9.2 t -56.47 161.53 2.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.223 -0.923 . . . . 0.0 108.906 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.509 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.1 t -41.67 -55.62 2.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.302 -0.873 . . . . 0.0 109.403 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.34 114.44 24.33 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.98 -17.56 18.06 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.063 -1.023 . . . . 0.0 111.842 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' MET . 5.2 ttt -87.32 -5.24 58.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.438 -1.414 . . . . 0.0 110.468 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.596 ' O ' HG21 ' A' ' 12' ' ' VAL . 15.9 t0 -49.36 178.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.071 . . . . 0.0 109.649 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 6.7 mmpt? -109.68 -76.09 0.62 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.464 -0.772 . . . . 0.0 109.656 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.7 mt-10 -73.66 -32.67 64.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.517 -1.364 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 14.7 t -66.5 -17.85 65.03 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.038 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.1 t -80.79 -37.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.715 ' HB3' HG22 ' A' ' 19' ' ' ILE . 22.5 m-85 -59.52 -19.31 47.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.041 -1.037 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 4.7 m-30 -71.67 -31.16 66.51 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 111.037 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.699 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.27 26.98 0.43 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.75 -1.219 . . . . 0.0 110.676 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 76.99 40.67 0.18 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.786 -1.196 . . . . 0.0 109.505 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.038 HD23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mm? -106.31 62.44 0.65 Allowed 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' LEU . 17.6 t0 37.85 73.81 0.09 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.613 -0.679 . . . . 0.0 110.327 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.715 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.2 pt -66.21 127.6 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.015 -1.053 . . . . 0.0 109.311 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -117.13 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.903 -1.123 . . . . 0.0 109.817 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.833 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.016 ' CB ' HD11 ' A' ' 6' ' ' LEU . 6.8 t . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 60.75 1.05 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 109.948 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.511 ' SG ' ' N ' ' A' ' 4' ' ' SER . 8.3 t -153.72 160.49 42.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 109.429 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.511 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 5.3 t -63.5 -56.61 14.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 0.0 109.383 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 119.18 20.65 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.016 HD11 ' CB ' ' A' ' 1' ' ' CYS . 7.0 mp -56.63 -15.24 4.09 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.923 -1.111 . . . . 0.0 111.577 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.466 ' O ' ' HG2' ' A' ' 7' ' ' MET . 7.7 ttt -87.78 -4.47 58.88 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.531 -1.355 . . . . 0.0 110.687 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 2.6 t70 -59.17 -153.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.861 -1.15 . . . . 0.0 109.498 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 10.2 mmmt -128.58 -76.65 0.56 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.396 -0.815 . . . . 0.0 109.493 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -71.54 -30.71 66.2 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.589 -1.319 . . . . 0.0 108.887 179.502 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 42.4 t -72.05 -15.63 62.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.061 ' O ' HD23 ' A' ' 17' ' ' LEU . 15.4 t -79.74 -32.49 14.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.824 -0.547 . . . . 0.0 109.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.751 ' HB3' HG22 ' A' ' 19' ' ' ILE . 17.1 m-30 -51.2 -25.86 6.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 0.0 110.132 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 11' ' ' CYS . 5.6 m-30 -63.1 -30.6 71.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.88 . . . . 0.0 110.281 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.831 ' HB3' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -81.86 23.11 0.7 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 5.9 t-160 77.94 40.03 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.958 -1.089 . . . . 0.0 109.952 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.061 HD23 ' O ' ' A' ' 12' ' ' VAL . 2.7 mm? -107.73 63.8 0.62 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.108 -0.995 . . . . 0.0 110.007 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 17' ' ' LEU . 7.0 p-10 39.73 76.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.472 -0.768 . . . . 0.0 110.212 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.751 HG22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 pt -62.47 127.45 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 120.914 -1.116 . . . . 0.0 109.318 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 20' ' ' ILE . 11.0 mm -116.11 78.92 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.961 -1.087 . . . . 0.0 109.748 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.637 ' CE3' ' N ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.53 179.847 . . . . . . . . 2 2 . 1 stop_ save_